3-acetamido-N-(3-amino-4-chlorophenyl)benzamide

C15H14ClN3O2 — CID 28867862

IUPAC3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9(20)18-11-4-2-3-10(7-11)15(21)19-12-5-6-13(16)14(17)8-12/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyVTYRVKLVDXIHFC-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.13
Rot. Bonds3

About 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide

3-acetamido-N-(3-amino-4-chlorophenyl)benzamide (PubChem CID 28867862) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
PubChem CID28867862
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H14ClN3O2/c1-9(20)18-11-4-2-3-10(7-11)15(21)19-12-5-6-13(16)14(17)8-12/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyVTYRVKLVDXIHFC-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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

N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide?
The IUPAC name of 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide (CID 28867862) is 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide?
The canonical SMILES for 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1.
What is the InChIKey of 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide?
The InChIKey is VTYRVKLVDXIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(20)18-11-4-2-3-10(7-11)15(21)19-12-5-6-13(16)14(17)8-12/h2-8H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide?
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide has a molecular weight of 303.75 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-amino-4-chlorophenyl)benzamide is sourced from PubChem (CID 28867862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).