3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide

C15H15FN2O — CID 170876260

IUPAC3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O/c16-13-6-4-10(5-7-13)11-2-1-3-12(8-11)14(17)9-15(18)19/h1-8,14H,9,17H2,(H2,18,19)
InChIKeyKDVILXOKOXFFOH-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.37
Rot. Bonds4

About 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide

3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide (PubChem CID 170876260) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide
PubChem CID170876260
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O/c16-13-6-4-10(5-7-13)11-2-1-3-12(8-11)14(17)9-15(18)19/h1-8,14H,9,17H2,(H2,18,19)
InChIKeyKDVILXOKOXFFOH-UHFFFAOYSA-N
XLogP2.37
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
3-amino-3-(3-nitrophenyl)propanamide
CID 18949390
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide
CID 170876128
(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366041
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide (CID 170876260) is 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide is NC(=O)CC(N)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide?
The InChIKey is KDVILXOKOXFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-6-4-10(5-7-13)11-2-1-3-12(8-11)14(17)9-15(18)19/h1-8,14H,9,17H2,(H2,18,19).
What are the key properties of 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide?
3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide has a molecular weight of 258.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(4-fluorophenyl)phenyl]propanamide is sourced from PubChem (CID 170876260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).