[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid

C13H11ClN2O2 — CID 141369696

IUPAC[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid
SMILESNc1ccc(NC(=O)O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-9-3-1-8(2-4-9)11-7-10(16-13(17)18)5-6-12(11)15/h1-7,16H,15H2,(H,17,18)
InChIKeyWSWOQPOFQBTJJY-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.68
Rot. Bonds2

About [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid

[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid (PubChem CID 141369696) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid
PubChem CID141369696
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid
SMILESNc1ccc(NC(=O)O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-9-3-1-8(2-4-9)11-7-10(16-13(17)18)5-6-12(11)15/h1-7,16H,15H2,(H,17,18)
InChIKeyWSWOQPOFQBTJJY-UHFFFAOYSA-N
XLogP3.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
ethyl 4-acetamido-2-(4-chlorophenyl)benzoate
CID 139893211
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
4-[2-amino-5-(2-hydroxyethylamino)phenyl]benzoic acid
CID 18371515
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid
CID 22224785

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid?
The IUPAC name of [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid (CID 141369696) is [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid.
What is the SMILES notation for [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid?
The canonical SMILES for [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid is Nc1ccc(NC(=O)O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid?
The InChIKey is WSWOQPOFQBTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-3-1-8(2-4-9)11-7-10(16-13(17)18)5-6-12(11)15/h1-7,16H,15H2,(H,17,18).
What are the key properties of [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid?
[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid has a molecular weight of 262.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(4-chlorophenyl)phenyl]carbamic acid is sourced from PubChem (CID 141369696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).