3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide

C15H14ClN3O2 — CID 115930162

IUPAC3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H14ClN3O2/c1-18-14(20)9-5-2-3-8-12(9)19-15(21)10-6-4-7-11(17)13(10)16/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyCCUZXLURVZQKQE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide

3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide (PubChem CID 115930162) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
PubChem CID115930162
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H14ClN3O2/c1-18-14(20)9-5-2-3-8-12(9)19-15(21)10-6-4-7-11(17)13(10)16/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyCCUZXLURVZQKQE-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.53
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-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
2-amino-5-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574314
2-amino-6-methyl-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574320
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
6-chloro-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62233103
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
5-amino-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 81316970
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
CID 112576138

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide (CID 115930162) is 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccccc1NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is CCUZXLURVZQKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-18-14(20)9-5-2-3-8-12(9)19-15(21)10-6-4-7-11(17)13(10)16/h2-8H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide?
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 303.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 115930162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).