N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide

C11H10BrClFNO2 — CID 107612048

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H10BrClFNO2/c1-6(16)2-3-10(17)15-11-8(12)4-7(14)5-9(11)13/h4-5H,2-3H2,1H3,(H,15,17)
InChIKeyCYUHJKVJCGUJHZ-UHFFFAOYSA-N
MW322.56 g/mol
LogP3.55
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide (PubChem CID 107612048) has the molecular formula C11H10BrClFNO2 and a molecular weight of 322.56 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
PubChem CID107612048
Molecular FormulaC11H10BrClFNO2
Molecular Weight322.56 g/mol
Exact Mass320.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H10BrClFNO2/c1-6(16)2-3-10(17)15-11-8(12)4-7(14)5-9(11)13/h4-5H,2-3H2,1H3,(H,15,17)
InChIKeyCYUHJKVJCGUJHZ-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
CID 83079200
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107614461

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide (CID 107612048) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide is CC(=O)CCC(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide?
The InChIKey is CYUHJKVJCGUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO2/c1-6(16)2-3-10(17)15-11-8(12)4-7(14)5-9(11)13/h4-5H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide has a molecular weight of 322.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide is sourced from PubChem (CID 107612048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).