2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide

C16H15ClFNO2 — CID 68869456

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
SMILESCOCC(C(N)=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-9-13(16(19)20)11-4-2-10(3-5-11)12-6-7-15(18)14(17)8-12/h2-8,13H,9H2,1H3,(H2,19,20)
InChIKeyGJJNWKJLUDTKHF-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.36
Rot. Bonds5

About 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide

2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide (PubChem CID 68869456) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
PubChem CID68869456
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
SMILESCOCC(C(N)=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-9-13(16(19)20)11-4-2-10(3-5-11)12-6-7-15(18)14(17)8-12/h2-8,13H,9H2,1H3,(H2,19,20)
InChIKeyGJJNWKJLUDTKHF-UHFFFAOYSA-N
XLogP3.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3'',5''-Dichloro-2-fluoro-biphenyl-4-yl)-propionamide
CID 11565846
3-(4-Tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)propanamide
CID 68578390
2-[4-(3-Chloro-4-fluorophenyl)phenyl]acetamide
CID 68868135
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-hydroxypropanamide
CID 68868150
3-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869455
3-(4-Tert-butylphenyl)-2-(3-chloro-2-fluorophenyl)propanamide
CID 69342585
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-oxopropanamide
CID 88000073
2-[(3-Chlorophenyl)methyl]-3-(difluoromethoxy)propanamide
CID 89921568
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
CID 90706905
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
CID 91419163
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 122623218
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 122623220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide (CID 68869456) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide is COCC(C(N)=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
The InChIKey is GJJNWKJLUDTKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-9-13(16(19)20)11-4-2-10(3-5-11)12-6-7-15(18)14(17)8-12/h2-8,13H,9H2,1H3,(H2,19,20).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide has a molecular weight of 307.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 68869456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).