N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide

C18H21FN2O — CID 109021226

IUPACN-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H21FN2O/c1-13-3-8-17(11-14(13)2)21-18(22)9-10-20-12-15-4-6-16(19)7-5-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyGFWAAXPPEWCELE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.56
Rot. Bonds6

About N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide

N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide (PubChem CID 109021226) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
PubChem CID109021226
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H21FN2O/c1-13-3-8-17(11-14(13)2)21-18(22)9-10-20-12-15-4-6-16(19)7-5-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyGFWAAXPPEWCELE-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.56
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-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021254
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948414
N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024054
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109020057
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
CID 3355238

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide (CID 109021226) is N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide is Cc1ccc(NC(=O)CCNCc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
The InChIKey is GFWAAXPPEWCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13-3-8-17(11-14(13)2)21-18(22)9-10-20-12-15-4-6-16(19)7-5-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide?
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide has a molecular weight of 300.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109021226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).