2-(chloroamino)benzamide

C7H7ClN2O — CID 54562633

IUPAC2-(chloroamino)benzamide
SMILESNC(=O)c1ccccc1NCl
InChIInChI=1S/C7H7ClN2O/c8-10-6-4-2-1-3-5(6)7(9)11/h1-4,10H,(H2,9,11)
InChIKeyZRPUEAFJIQGCTP-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.35
Rot. Bonds2

About 2-(chloroamino)benzamide

2-(chloroamino)benzamide (PubChem CID 54562633) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 2-(chloroamino)benzamide.

Molecular Properties

Compound Name2-(chloroamino)benzamide
PubChem CID54562633
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name2-(chloroamino)benzamide
SMILESNC(=O)c1ccccc1NCl
InChIInChI=1S/C7H7ClN2O/c8-10-6-4-2-1-3-5(6)7(9)11/h1-4,10H,(H2,9,11)
InChIKeyZRPUEAFJIQGCTP-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
N-(2-carbamoylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4582177
2-(cyclopropylamino)benzamide
CID 119089293
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-benzamidobenzamide
CID 702115
2-[[(E)-3-chloroprop-2-enyl]amino]benzamide
CID 122358735
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
CID 141298206
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-(cyanomethylamino)benzamide
CID 3086271

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)benzamide?
The IUPAC name of 2-(chloroamino)benzamide (CID 54562633) is 2-(chloroamino)benzamide.
What is the SMILES notation for 2-(chloroamino)benzamide?
The canonical SMILES for 2-(chloroamino)benzamide is NC(=O)c1ccccc1NCl.
What is the InChIKey of 2-(chloroamino)benzamide?
The InChIKey is ZRPUEAFJIQGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-10-6-4-2-1-3-5(6)7(9)11/h1-4,10H,(H2,9,11).
What are the key properties of 2-(chloroamino)benzamide?
2-(chloroamino)benzamide has a molecular weight of 170.60 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)benzamide is sourced from PubChem (CID 54562633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).