Basic information
- CAS
162021-00-3- Standard SMILES
N=C(N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1- InChIKey
HQWKMDKTTCPCMQ-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0777887
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea
- IUPAC
- 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
Names & synonyms
1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA162021-00-3DTXSID80274348ACPU, ureaRefChem:744003-(4-carbamimidoylphenyl)-1-(4-chlorophenyl)ureaDTXCID10225828C14H13ClN4O1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)ureaDB04336SCHEMBL4311708GP6
Show more names
PD006296NS00068986Q270951504-{[(4-chlorophenyl)carbamoyl]amino}benzenecarboximidamide4-{[(4-Chlorophenyl)carbamoyl]amino}benzene-1-carboximidamide
Database identifiers
- CAS
162021-00-3- PubChem CID
- 2014
- DTXSID
DTXSID80274348- Nikkaji
- J1.051.066J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…