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1-(Biphenyl-4-ylcarbamoyl)-cyclopropanecarboxylic acid methyl ester

HCID 57875810
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)C1(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIKey
AVPKQULHGRGLBO-UHFFFAOYSA-N
Molecular formula
C18H17NO3
Average molar mass
295.3 g/mol

Names & identifiers

Preferred name
1-(Biphenyl-4-ylcarbamoyl)-cyclopropanecarboxylic acid methyl ester
IUPAC
methyl 1-[(4-phenylphenyl)carbamoyl]cyclopropane-1-carboxylate

Names & synonyms

SCHEMBL70864AVPKQULHGRGLBO-UHFFFAOYSA-N1-(biphenyl-4-ylcarbamoyl)-cyclopropanecarboxylic acid methyl ester

Database identifiers

PubChem CID
57875810

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
416

Related reactions

7 records
New reaction record
HRID 114408 reaction equation
HRID 114408As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 192944 reaction equation
HRID 192944As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 672809 reaction equation
HRID 672809As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1093708 reaction equation
HRID 1093708As productuspto-grants-2012_03
HRID 1093709 reaction equation
HRID 1093709As reactantuspto-grants-2012_03
HRID 1665668 reaction equation
HRID 1665668As productuspto-grants-2011_10
HRID 1665669 reaction equation
HRID 1665669As reactantuspto-grants-2011_10

Compound notes

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