N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide

C11H10ClF2NO2 — CID 83088283

IUPACN-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2NO2/c1-6(16)2-3-10(17)15-11-8(12)4-7(13)5-9(11)14/h4-5H,2-3H2,1H3,(H,15,17)
InChIKeyJSQGFVIWFAFTJK-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.93
Rot. Bonds4

About N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide

N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide (PubChem CID 83088283) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
PubChem CID83088283
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2NO2/c1-6(16)2-3-10(17)15-11-8(12)4-7(13)5-9(11)14/h4-5H,2-3H2,1H3,(H,15,17)
InChIKeyJSQGFVIWFAFTJK-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
CID 83079200
2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide
CID 107769794
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide (CID 83088283) is N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide is CC(=O)CCC(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide?
The InChIKey is JSQGFVIWFAFTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c1-6(16)2-3-10(17)15-11-8(12)4-7(13)5-9(11)14/h4-5H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide?
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide has a molecular weight of 261.65 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide is sourced from PubChem (CID 83088283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).