3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide

C16H15ClFNO — CID 41499879

IUPAC3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C16H15ClFNO/c17-14-8-5-12(6-9-14)7-10-16(20)19-11-13-3-1-2-4-15(13)18/h1-6,8-9H,7,10-11H2,(H,19,20)
InChIKeyOGNFTQMWVMPWLP-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.73
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide

3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 41499879) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID41499879
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C16H15ClFNO/c17-14-8-5-12(6-9-14)7-10-16(20)19-11-13-3-1-2-4-15(13)18/h1-6,8-9H,7,10-11H2,(H,19,20)
InChIKeyOGNFTQMWVMPWLP-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide (CID 41499879) is 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCc1ccc(Cl)cc1)NCc1ccccc1F.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is OGNFTQMWVMPWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-8-5-12(6-9-14)7-10-16(20)19-11-13-3-1-2-4-15(13)18/h1-6,8-9H,7,10-11H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide?
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 291.75 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 41499879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).