3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide

C18H21FN2O — CID 109019416

IUPAC3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O/c1-14-3-2-4-16(11-14)13-21-18(22)9-10-20-12-15-5-7-17(19)8-6-15/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyAWLUOMTWTNHLAJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.93
Rot. Bonds7

About 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide

3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 109019416) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID109019416
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCNCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O/c1-14-3-2-4-16(11-14)13-21-18(22)9-10-20-12-15-5-7-17(19)8-6-15/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyAWLUOMTWTNHLAJ-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide (CID 109019416) is 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCNCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is AWLUOMTWTNHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-14-3-2-4-16(11-14)13-21-18(22)9-10-20-12-15-5-7-17(19)8-6-15/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide?
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).