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

C16H15ClFNO2 — CID 68869455

IUPAC3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
SMILESCOC(CC(N)=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-15(9-16(19)20)11-4-2-10(3-5-11)12-6-7-14(18)13(17)8-12/h2-8,15H,9H2,1H3,(H2,19,20)
InChIKeyQTMDXAOANIDRNQ-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.71
Rot. Bonds5

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

3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide (PubChem CID 68869455) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
PubChem CID68869455
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
SMILESCOC(CC(N)=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-15(9-16(19)20)11-4-2-10(3-5-11)12-6-7-14(18)13(17)8-12/h2-8,15H,9H2,1H3,(H2,19,20)
InChIKeyQTMDXAOANIDRNQ-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 68869456
CID 68869456
CID 69343095
CID 69343095
CID 69513560
CID 69513560
CID 90706905
CID 90706905
CID 122623304
CID 122623304
CID 122623307
CID 122623307
CID 122623333
CID 122623333
CID 122623373
CID 122623373
CID 124093995
CID 124093995
CID 124093996
CID 124093996
CID 124093997
CID 124093997
CID 124094001
CID 124094001

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide (CID 68869455) is 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide is COC(CC(N)=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
The InChIKey is QTMDXAOANIDRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-15(9-16(19)20)11-4-2-10(3-5-11)12-6-7-14(18)13(17)8-12/h2-8,15H,9H2,1H3,(H2,19,20).
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide?
3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide has a molecular weight of 307.75 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 68869455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).