(5-amino-2-chlorophenyl)carbamic acid

C7H7ClN2O2 — CID 57203171

IUPAC(5-amino-2-chlorophenyl)carbamic acid
SMILESNc1ccc(Cl)c(NC(=O)O)c1
InChIInChI=1S/C7H7ClN2O2/c8-5-2-1-4(9)3-6(5)10-7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKeyGQXZTLCWOWWDMS-UHFFFAOYSA-N
MW186.60 g/mol
LogP2.01
Rot. Bonds1

About (5-amino-2-chlorophenyl)carbamic acid

(5-amino-2-chlorophenyl)carbamic acid (PubChem CID 57203171) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)carbamic acid.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)carbamic acid
PubChem CID57203171
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name(5-amino-2-chlorophenyl)carbamic acid
SMILESNc1ccc(Cl)c(NC(=O)O)c1
InChIInChI=1S/C7H7ClN2O2/c8-5-2-1-4(9)3-6(5)10-7(11)12/h1-3,10H,9H2,(H,11,12)
InChIKeyGQXZTLCWOWWDMS-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-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 43548778
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
CID 43376858
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-(5-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985119
N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide
CID 55059942
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)carbamic acid?
The IUPAC name of (5-amino-2-chlorophenyl)carbamic acid (CID 57203171) is (5-amino-2-chlorophenyl)carbamic acid.
What is the SMILES notation for (5-amino-2-chlorophenyl)carbamic acid?
The canonical SMILES for (5-amino-2-chlorophenyl)carbamic acid is Nc1ccc(Cl)c(NC(=O)O)c1.
What is the InChIKey of (5-amino-2-chlorophenyl)carbamic acid?
The InChIKey is GQXZTLCWOWWDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-2-1-4(9)3-6(5)10-7(11)12/h1-3,10H,9H2,(H,11,12).
What are the key properties of (5-amino-2-chlorophenyl)carbamic acid?
(5-amino-2-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 (5-amino-2-chlorophenyl)carbamic acid is sourced from PubChem (CID 57203171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).