3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide

C16H13BrClFN2O2 — CID 38956193

IUPAC3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C16H13BrClFN2O2/c1-21(2)16(23)9-3-6-13(18)14(7-9)20-15(22)11-8-10(19)4-5-12(11)17/h3-8H,1-2H3,(H,20,22)
InChIKeyGJKNDHYMGDJPIG-UHFFFAOYSA-N
MW399.65 g/mol
LogP4.20
Rot. Bonds3

About 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide

3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 38956193) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID38956193
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC Name3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C16H13BrClFN2O2/c1-21(2)16(23)9-3-6-13(18)14(7-9)20-15(22)11-8-10(19)4-5-12(11)17/h3-8H,1-2H3,(H,20,22)
InChIKeyGJKNDHYMGDJPIG-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 71969035
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264755
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618132
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide (CID 38956193) is 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2Br)c1.
What is the InChIKey of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is GJKNDHYMGDJPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c1-21(2)16(23)9-3-6-13(18)14(7-9)20-15(22)11-8-10(19)4-5-12(11)17/h3-8H,1-2H3,(H,20,22).
What are the key properties of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 399.65 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 38956193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).