(2Z)-2-(Benzoylamino)-3-(4-(2-bromophenoxy)phenyl)acrylic acid
Basic information
- CAS
639517-90-1- Standard SMILES
O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1- InChIKey
WLPJLQNKCJWAFL-RGEXLXHISA-N- Molecular formula
- C22H16BrNO4
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 437.02627
Names & identifiers
- Preferred name
- (2Z)-2-(Benzoylamino)-3-(4-(2-bromophenoxy)phenyl)acrylic acid
- IUPAC
- (Z)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
- English name
- (2Z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
- Molecular formula
- C22H16BrNO4
- Molecular weight
- 438.27
Names & synonyms
639517-90-1(2Z)-2-(Benzoylamino)-3-(4-(2-bromophenoxy)phenyl)acrylic acid(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]acrylic acidRefChem:399114(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACIDCHEMBL188442(Z)-2-benzamido-3-(4-(2-bromophenoxy)phenyl)acrylic acid(Z)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid1yvfPH7SCHEMBL4321755(2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
Show more names
2-Propenoic acid, 2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-,(2Z)-
BDBM50166405DB01720PD008474NS000704982-benzamido-3-(4-(2-bromophenoxy)phenyl)acrylic acidQ270928862-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-acrylic acid(Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-acrylic acid
Database identifiers
- CAS
639517-90-1- PubChem CID
- 657131
- ChEMBL
CHEMBL188442- Nikkaji
- J2.573.334G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Compound notes
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