N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide

C16H17ClN2O — CID 106860367

IUPACN-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cccc(N)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-6-7-14(15(17)8-11)16(20)19(2)10-12-4-3-5-13(18)9-12/h3-9H,10,18H2,1-2H3
InChIKeyOGDLKUBDZUXSOR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.50
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide

N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide (PubChem CID 106860367) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
PubChem CID106860367
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cccc(N)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-6-7-14(15(17)8-11)16(20)19(2)10-12-4-3-5-13(18)9-12/h3-9H,10,18H2,1-2H3
InChIKeyOGDLKUBDZUXSOR-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-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide (CID 106860367) is N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2cccc(N)c2)c(Cl)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
The InChIKey is OGDLKUBDZUXSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-6-7-14(15(17)8-11)16(20)19(2)10-12-4-3-5-13(18)9-12/h3-9H,10,18H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide?
N-[(3-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-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide is sourced from PubChem (CID 106860367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).