3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide

C17H18FNO — CID 33280259

IUPAC3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C17H18FNO/c1-13-5-4-6-14(11-13)12-19-17(20)10-9-15-7-2-3-8-16(15)18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyACHRXXTXOABYBD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.38
Rot. Bonds5

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

3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 33280259) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID33280259
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C17H18FNO/c1-13-5-4-6-14(11-13)12-19-17(20)10-9-15-7-2-3-8-16(15)18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyACHRXXTXOABYBD-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
CID 91788479
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961810
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255820
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide (CID 33280259) is 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCc2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is ACHRXXTXOABYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-5-4-6-14(11-13)12-19-17(20)10-9-15-7-2-3-8-16(15)18/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 33280259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).