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

C17H17ClFNO2 — CID 90706905

IUPAC3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
SMILESCOC(C)(c1ccc(Cl)cc1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-17(22-2,12-6-8-13(18)9-7-12)15(16(20)21)11-4-3-5-14(19)10-11/h3-10,15H,1-2H3,(H2,20,21)
InChIKeyFPJAEJLUIVDDFC-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.61
Rot. Bonds5

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

3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide (PubChem CID 90706905) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
PubChem CID90706905
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
SMILESCOC(C)(c1ccc(Cl)cc1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H17ClFNO2/c1-17(22-2,12-6-8-13(18)9-7-12)15(16(20)21)11-4-3-5-14(19)10-11/h3-10,15H,1-2H3,(H2,20,21)
InChIKeyFPJAEJLUIVDDFC-UHFFFAOYSA-N
XLogP3.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-Chloro-3-(trifluoromethyl)phenyl]-6-ethoxycyclohexa-2,4-diene-1-carboxamide
CID 67529180
3-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869455
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869456
3-[3-Chloro-4-(2-methoxypropan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69513560
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
CID 91419163
(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-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
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
CID 122623321
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide
CID 122623346

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide (CID 90706905) is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide is COC(C)(c1ccc(Cl)cc1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide?
The InChIKey is FPJAEJLUIVDDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-17(22-2,12-6-8-13(18)9-7-12)15(16(20)21)11-4-3-5-14(19)10-11/h3-10,15H,1-2H3,(H2,20,21).
What are the key properties of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide?
3-(4-chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide has a molecular weight of 321.78 g/mol, XLogP of 3.61, 5 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)-3-methoxybutanamide is sourced from PubChem (CID 90706905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).