N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide

C16H17ClN2O — CID 106860369

IUPACN-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2N)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-13(14(17)9-11)16(20)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10,18H2,1-2H3
InChIKeyGQXXLLASTWJKPD-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.50
Rot. Bonds3

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

N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide (PubChem CID 106860369) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
PubChem CID106860369
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2N)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-13(14(17)9-11)16(20)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10,18H2,1-2H3
InChIKeyGQXXLLASTWJKPD-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
N-[(2-aminophenyl)methyl]-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104669113

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide (CID 106860369) is N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2N)c(Cl)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
The InChIKey is GQXXLLASTWJKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-7-8-13(14(17)9-11)16(20)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide is sourced from PubChem (CID 106860369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).