3-amino-2-chloro-N-(4-methylphenyl)benzamide

C14H13ClN2O — CID 112574116

IUPAC3-amino-2-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N)c2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyVQYOTXLBIOEINO-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About 3-amino-2-chloro-N-(4-methylphenyl)benzamide

3-amino-2-chloro-N-(4-methylphenyl)benzamide (PubChem CID 112574116) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4-methylphenyl)benzamide
PubChem CID112574116
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-amino-2-chloro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N)c2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyVQYOTXLBIOEINO-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 115930162
2-ethyl-3-hydroxy-N-(4-methylphenyl)benzamide
CID 144929649

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4-methylphenyl)benzamide (CID 112574116) is 3-amino-2-chloro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(N)c2Cl)cc1.
What is the InChIKey of 3-amino-2-chloro-N-(4-methylphenyl)benzamide?
The InChIKey is VQYOTXLBIOEINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-(4-methylphenyl)benzamide?
3-amino-2-chloro-N-(4-methylphenyl)benzamide has a molecular weight of 260.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 112574116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).