4-amino-2-chlorobenzamide

C7H7ClN2O — CID 11435193

IUPAC4-amino-2-chlorobenzamide
SMILESNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C7H7ClN2O/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyXTCHLLLRWDYHRD-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.02
Rot. Bonds1

About 4-amino-2-chlorobenzamide

4-amino-2-chlorobenzamide (PubChem CID 11435193) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-amino-2-chlorobenzamide.

Molecular Properties

Compound Name4-amino-2-chlorobenzamide
PubChem CID11435193
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-amino-2-chlorobenzamide
SMILESNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C7H7ClN2O/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyXTCHLLLRWDYHRD-UHFFFAOYSA-N
XLogP1.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chlorobenzamide?
The IUPAC name of 4-amino-2-chlorobenzamide (CID 11435193) is 4-amino-2-chlorobenzamide.
What is the SMILES notation for 4-amino-2-chlorobenzamide?
The canonical SMILES for 4-amino-2-chlorobenzamide is NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chlorobenzamide?
The InChIKey is XTCHLLLRWDYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H2,10,11).
What are the key properties of 4-amino-2-chlorobenzamide?
4-amino-2-chlorobenzamide has a molecular weight of 170.60 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chlorobenzamide is sourced from PubChem (CID 11435193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).