3-amino-5-chlorobenzamide

C7H7ClN2O — CID 10924107

IUPAC3-amino-5-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H2,10,11)
InChIKeyADAIKEDNQZYHHJ-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.02
Rot. Bonds1

About 3-amino-5-chlorobenzamide

3-amino-5-chlorobenzamide (PubChem CID 10924107) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 3-amino-5-chlorobenzamide.

Molecular Properties

Compound Name3-amino-5-chlorobenzamide
PubChem CID10924107
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name3-amino-5-chlorobenzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H2,10,11)
InChIKeyADAIKEDNQZYHHJ-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 3-amino-5-chlorobenzamide?
The IUPAC name of 3-amino-5-chlorobenzamide (CID 10924107) is 3-amino-5-chlorobenzamide.
What is the SMILES notation for 3-amino-5-chlorobenzamide?
The canonical SMILES for 3-amino-5-chlorobenzamide is NC(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 3-amino-5-chlorobenzamide?
The InChIKey is ADAIKEDNQZYHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H2,10,11).
What are the key properties of 3-amino-5-chlorobenzamide?
3-amino-5-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 3-amino-5-chlorobenzamide is sourced from PubChem (CID 10924107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).