2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide

C15H14ClN3O2 — CID 108898720

IUPAC2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-11-5-3-4-10(8-11)9-18-15(21)19-14(20)12-6-1-2-7-13(12)17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyNFEIBJSNDKJJQO-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.56
Rot. Bonds3

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

2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide (PubChem CID 108898720) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
PubChem CID108898720
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-11-5-3-4-10(8-11)9-18-15(21)19-14(20)12-6-1-2-7-13(12)17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyNFEIBJSNDKJJQO-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-(3-chlorophenyl)ethylcarbamoyl]benzamide
CID 108901474
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
CID 142955436
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide (CID 108898720) is 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide is Nc1ccccc1C(=O)NC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide?
The InChIKey is NFEIBJSNDKJJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-5-3-4-10(8-11)9-18-15(21)19-14(20)12-6-1-2-7-13(12)17/h1-8H,9,17H2,(H2,18,19,20,21).
What are the key properties of 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide?
2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide has a molecular weight of 303.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide is sourced from PubChem (CID 108898720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).