3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide

C15H15ClN2O — CID 16782790

IUPAC3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C15H15ClN2O/c1-9-3-6-14(10(2)7-9)18-15(19)11-4-5-12(16)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOEDJPZYPDXYEGW-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.79
Rot. Bonds2

About 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide

3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide (PubChem CID 16782790) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
PubChem CID16782790
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C15H15ClN2O/c1-9-3-6-14(10(2)7-9)18-15(19)11-4-5-12(16)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOEDJPZYPDXYEGW-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.79
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-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide (CID 16782790) is 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is OEDJPZYPDXYEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-3-6-14(10(2)7-9)18-15(19)11-4-5-12(16)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide?
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 16782790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).