3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide

C15H14F2N2O — CID 28713220

IUPAC3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
SMILESNc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H14F2N2O/c16-11-4-7-14(13(17)9-11)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-2,4-7,9H,3,8,18H2,(H,19,20)
InChIKeyCGPLHMOZKHDMFN-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.12
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide

3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 28713220) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
PubChem CID28713220
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
SMILESNc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H14F2N2O/c16-11-4-7-14(13(17)9-11)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-2,4-7,9H,3,8,18H2,(H,19,20)
InChIKeyCGPLHMOZKHDMFN-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
CID 39184050
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-(2,4-difluorophenyl)hexanamide
CID 3484261
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide (CID 28713220) is 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide is Nc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is CGPLHMOZKHDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-11-4-7-14(13(17)9-11)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-2,4-7,9H,3,8,18H2,(H,19,20).
What are the key properties of 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 276.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 28713220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).