N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide

C14H10BrClFNO — CID 114027991

IUPACN-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-6-9(16)2-4-11(8)14(19)18-10-3-5-13(17)12(15)7-10/h2-7H,1H3,(H,18,19)
InChIKeyOPAKIEKPPFGNQZ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide

N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide (PubChem CID 114027991) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
PubChem CID114027991
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-6-9(16)2-4-11(8)14(19)18-10-3-5-13(17)12(15)7-10/h2-7H,1H3,(H,18,19)
InChIKeyOPAKIEKPPFGNQZ-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 104780403
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide (CID 114027991) is N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide?
The InChIKey is OPAKIEKPPFGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-6-9(16)2-4-11(8)14(19)18-10-3-5-13(17)12(15)7-10/h2-7H,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide?
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide is sourced from PubChem (CID 114027991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).