4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide

C13H14ClF2NO2 — CID 58478304

IUPAC4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide
SMILESO=C(CNC(=O)CCCCl)Cc1ccc(F)cc1F
InChIInChI=1S/C13H14ClF2NO2/c14-5-1-2-13(19)17-8-11(18)6-9-3-4-10(15)7-12(9)16/h3-4,7H,1-2,5-6,8H2,(H,17,19)
InChIKeyGBZLKMUNPOBNBA-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.21
Rot. Bonds7

About 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide

4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide (PubChem CID 58478304) has the molecular formula C13H14ClF2NO2 and a molecular weight of 289.71 g/mol. Its IUPAC name is 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide
PubChem CID58478304
Molecular FormulaC13H14ClF2NO2
Molecular Weight289.71 g/mol
Exact Mass289.07
IUPAC Name4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide
SMILESO=C(CNC(=O)CCCCl)Cc1ccc(F)cc1F
InChIInChI=1S/C13H14ClF2NO2/c14-5-1-2-13(19)17-8-11(18)6-9-3-4-10(15)7-12(9)16/h3-4,7H,1-2,5-6,8H2,(H,17,19)
InChIKeyGBZLKMUNPOBNBA-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-4-chlorobut-2-enyl]-2-(2,4-difluorophenyl)acetamide
CID 81429076
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one
CID 57127771
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114299394
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
1-(2-amino-4-fluorophenyl)-4-chlorobutan-2-one
CID 70088717
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide?
The IUPAC name of 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide (CID 58478304) is 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide.
What is the SMILES notation for 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide?
The canonical SMILES for 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide is O=C(CNC(=O)CCCCl)Cc1ccc(F)cc1F.
What is the InChIKey of 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide?
The InChIKey is GBZLKMUNPOBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO2/c14-5-1-2-13(19)17-8-11(18)6-9-3-4-10(15)7-12(9)16/h3-4,7H,1-2,5-6,8H2,(H,17,19).
What are the key properties of 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide?
4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide has a molecular weight of 289.71 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide is sourced from PubChem (CID 58478304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).