(4-amino-3-chlorophenyl)carbamic acid

C7H7ClN2O2 — CID 18543733

IUPAC(4-amino-3-chlorophenyl)carbamic acid
SMILESNc1ccc(NC(=O)O)cc1Cl
InChIInChI=1S/C7H7ClN2O2/c8-5-3-4(10-7(11)12)1-2-6(5)9/h1-3,10H,9H2,(H,11,12)
InChIKeyLNQJVAATSKFDOF-UHFFFAOYSA-N
MW186.60 g/mol
LogP2.01
Rot. Bonds1

About (4-amino-3-chlorophenyl)carbamic acid

(4-amino-3-chlorophenyl)carbamic acid (PubChem CID 18543733) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)carbamic acid.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)carbamic acid
PubChem CID18543733
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name(4-amino-3-chlorophenyl)carbamic acid
SMILESNc1ccc(NC(=O)O)cc1Cl
InChIInChI=1S/C7H7ClN2O2/c8-5-3-4(10-7(11)12)1-2-6(5)9/h1-3,10H,9H2,(H,11,12)
InChIKeyLNQJVAATSKFDOF-UHFFFAOYSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 52.01
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

1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
[4-amino-3-(4-chlorophenyl)phenyl]carbamic acid
CID 141369696
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
CID 18621844
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)carbamic acid?
The IUPAC name of (4-amino-3-chlorophenyl)carbamic acid (CID 18543733) is (4-amino-3-chlorophenyl)carbamic acid.
What is the SMILES notation for (4-amino-3-chlorophenyl)carbamic acid?
The canonical SMILES for (4-amino-3-chlorophenyl)carbamic acid is Nc1ccc(NC(=O)O)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)carbamic acid?
The InChIKey is LNQJVAATSKFDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-3-4(10-7(11)12)1-2-6(5)9/h1-3,10H,9H2,(H,11,12).
What are the key properties of (4-amino-3-chlorophenyl)carbamic acid?
(4-amino-3-chlorophenyl)carbamic acid has a molecular weight of 186.60 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)carbamic acid is sourced from PubChem (CID 18543733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).