N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide

C15H12BrClFNO — CID 79035791

IUPACN-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H12BrClFNO/c1-19(9-10-5-7-11(16)8-6-10)15(20)12-3-2-4-13(18)14(12)17/h2-8H,9H2,1H3
InChIKeyVLPLDKGJOJJFEF-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.51
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide

N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide (PubChem CID 79035791) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
PubChem CID79035791
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H12BrClFNO/c1-19(9-10-5-7-11(16)8-6-10)15(20)12-3-2-4-13(18)14(12)17/h2-8H,9H2,1H3
InChIKeyVLPLDKGJOJJFEF-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide (CID 79035791) is N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1cccc(F)c1Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
The InChIKey is VLPLDKGJOJJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-19(9-10-5-7-11(16)8-6-10)15(20)12-3-2-4-13(18)14(12)17/h2-8H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.51, 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]-2-chloro-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 79035791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).