N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide

C15H12BrCl2NO — CID 60628401

IUPACN-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-10-2-5-12(16)6-3-10)15(20)11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3
InChIKeyCPNNLYOBIYCFJO-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.03
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide

N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide (PubChem CID 60628401) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
PubChem CID60628401
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC NameN-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-10-2-5-12(16)6-3-10)15(20)11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3
InChIKeyCPNNLYOBIYCFJO-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 81295242
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide (CID 60628401) is N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide?
The InChIKey is CPNNLYOBIYCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c1-19(9-10-2-5-12(16)6-3-10)15(20)11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide?
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide has a molecular weight of 373.08 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 60628401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).