2-amino-N-carbamoyl-3-chlorobenzamide

C8H8ClN3O2 — CID 82547464

IUPAC2-amino-N-carbamoyl-3-chlorobenzamide
SMILESNC(=O)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C8H8ClN3O2/c9-5-3-1-2-4(6(5)10)7(13)12-8(11)14/h1-3H,10H2,(H3,11,12,13,14)
InChIKeyKSNQUVLEQIAQNO-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.73
Rot. Bonds1

About 2-amino-N-carbamoyl-3-chlorobenzamide

2-amino-N-carbamoyl-3-chlorobenzamide (PubChem CID 82547464) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-amino-N-carbamoyl-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-carbamoyl-3-chlorobenzamide
PubChem CID82547464
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-amino-N-carbamoyl-3-chlorobenzamide
SMILESNC(=O)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C8H8ClN3O2/c9-5-3-1-2-4(6(5)10)7(13)12-8(11)14/h1-3H,10H2,(H3,11,12,13,14)
InChIKeyKSNQUVLEQIAQNO-UHFFFAOYSA-N
XLogP0.73
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964
2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
CID 82546637
N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
CID 70008236
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-carbamoyl-3-chlorobenzamide?
The IUPAC name of 2-amino-N-carbamoyl-3-chlorobenzamide (CID 82547464) is 2-amino-N-carbamoyl-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-carbamoyl-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-carbamoyl-3-chlorobenzamide is NC(=O)NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-N-carbamoyl-3-chlorobenzamide?
The InChIKey is KSNQUVLEQIAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-5-3-1-2-4(6(5)10)7(13)12-8(11)14/h1-3H,10H2,(H3,11,12,13,14).
What are the key properties of 2-amino-N-carbamoyl-3-chlorobenzamide?
2-amino-N-carbamoyl-3-chlorobenzamide has a molecular weight of 213.62 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-carbamoyl-3-chlorobenzamide is sourced from PubChem (CID 82547464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).