3-bromo-N-(4-chloro-3-fluorophenyl)benzamide

C13H8BrClFNO — CID 60776244

IUPAC3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClFNO/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-11(15)12(16)7-10/h1-7H,(H,17,18)
InChIKeyVQSWSAMHIZYUTH-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.49
Rot. Bonds2

About 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide

3-bromo-N-(4-chloro-3-fluorophenyl)benzamide (PubChem CID 60776244) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
PubChem CID60776244
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H8BrClFNO/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-11(15)12(16)7-10/h1-7H,(H,17,18)
InChIKeyVQSWSAMHIZYUTH-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
N-(4-chloro-3-fluorophenyl)-3-hydroxybenzamide
CID 54955192
4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43100856
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 82889682
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide (CID 60776244) is 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide is O=C(Nc1ccc(Cl)c(F)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
The InChIKey is VQSWSAMHIZYUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-9-3-1-2-8(6-9)13(18)17-10-4-5-11(15)12(16)7-10/h1-7H,(H,17,18).
What are the key properties of 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide has a molecular weight of 328.57 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-3-fluorophenyl)benzamide is sourced from PubChem (CID 60776244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).