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

C15H14BrClN2O — CID 107986287

IUPACN-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-4-2-3-5-14(10)18)15(20)12-7-6-11(17)8-13(12)16/h2-8H,9,18H2,1H3
InChIKeyXECALVVMVLXHOY-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.96
Rot. Bonds3

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

N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide (PubChem CID 107986287) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
PubChem CID107986287
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-4-2-3-5-14(10)18)15(20)12-7-6-11(17)8-13(12)16/h2-8H,9,18H2,1H3
InChIKeyXECALVVMVLXHOY-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.96
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-chloro-N,4-dimethylbenzamide
CID 106860369
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
CID 107986331
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide (CID 107986287) is N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide is CN(Cc1ccccc1N)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide?
The InChIKey is XECALVVMVLXHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(9-10-4-2-3-5-14(10)18)15(20)12-7-6-11(17)8-13(12)16/h2-8H,9,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide?
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide has a molecular weight of 353.65 g/mol, XLogP of 3.96, 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-bromo-4-chloro-N-methylbenzamide is sourced from PubChem (CID 107986287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).