2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide

C15H14BrClN2O — CID 61118172

IUPAC2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-7-6-12(17)8-14(13)18/h2-8H,9,18H2,1H3
InChIKeyNOANVNMUTXLJNQ-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.96
Rot. Bonds3

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

2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide (PubChem CID 61118172) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
PubChem CID61118172
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H14BrClN2O/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-7-6-12(17)8-14(13)18/h2-8H,9,18H2,1H3
InChIKeyNOANVNMUTXLJNQ-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

2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide (CID 61118172) is 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide?
The InChIKey is NOANVNMUTXLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(9-10-2-4-11(16)5-3-10)15(20)13-7-6-12(17)8-14(13)18/h2-8H,9,18H2,1H3.
What are the key properties of 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide?
2-amino-N-[(4-bromophenyl)methyl]-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 2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 61118172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).