N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide

C15H14ClN3O2 — CID 43402960

IUPACN-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c1-9(20)18-14-7-6-10(8-12(14)16)19-15(21)11-4-2-3-5-13(11)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyVQNNVVWLGUGCCG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.13
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide

N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide (PubChem CID 43402960) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
PubChem CID43402960
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c1-9(20)18-14-7-6-10(8-12(14)16)19-15(21)11-4-2-3-5-13(11)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyVQNNVVWLGUGCCG-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-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957
N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24614240

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide (CID 43402960) is N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide?
The InChIKey is VQNNVVWLGUGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(20)18-14-7-6-10(8-12(14)16)19-15(21)11-4-2-3-5-13(11)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide?
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide 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 N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide is sourced from PubChem (CID 43402960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).