N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide

C15H15ClN2O — CID 106860403

IUPACN-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2N)c(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-6-7-12(13(16)8-10)15(19)18-9-11-4-2-3-5-14(11)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyDILNSPXAPRUQLV-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide

N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide (PubChem CID 106860403) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
PubChem CID106860403
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2N)c(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-10-6-7-12(13(16)8-10)15(19)18-9-11-4-2-3-5-14(11)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyDILNSPXAPRUQLV-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.16
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

N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
CID 62510687
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
CID 106500148
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide (CID 106860403) is N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2N)c(Cl)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide?
The InChIKey is DILNSPXAPRUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-6-7-12(13(16)8-10)15(19)18-9-11-4-2-3-5-14(11)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide?
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106860403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).