3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide

C17H17ClFNO2 — CID 91419163

IUPAC3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
SMILESCOCC(c1ccc(Cl)cc1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-22-10-15(11-5-7-13(18)8-6-11)16(17(20)21)12-3-2-4-14(19)9-12/h2-9,15-16H,10H2,1H3,(H2,20,21)
InChIKeyVWLLVLDOEJUEQR-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.48
Rot. Bonds6

About 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide

3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide (PubChem CID 91419163) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
PubChem CID91419163
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
SMILESCOCC(c1ccc(Cl)cc1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-22-10-15(11-5-7-13(18)8-6-11)16(17(20)21)12-3-2-4-14(19)9-12/h2-9,15-16H,10H2,1H3,(H2,20,21)
InChIKeyVWLLVLDOEJUEQR-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-5-[2-(4-fluorophenyl)ethoxy]-N-hydroxypentanamide
CID 73669632
3-(4-Tert-butylphenyl)-2-(4-chloro-3-fluorophenyl)propanamide
CID 68848900
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869456
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
CID 90706905
1-(4-Chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 91103310
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 122623220
(3R,4R)-3-butoxy-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxypentanamide
CID 122623285
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide
CID 122623300
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-N-hydroxy-3-methoxypentanamide
CID 122623304
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide
CID 122623307
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide
CID 122623311
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide
CID 122623313

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide (CID 91419163) is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide is COCC(c1ccc(Cl)cc1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide?
The InChIKey is VWLLVLDOEJUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-22-10-15(11-5-7-13(18)8-6-11)16(17(20)21)12-3-2-4-14(19)9-12/h2-9,15-16H,10H2,1H3,(H2,20,21).
What are the key properties of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide?
3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide has a molecular weight of 321.78 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide is sourced from PubChem (CID 91419163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).