2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide

C17H19FN2O — CID 115917629

IUPAC2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
SMILESCC(Cc1cccc(F)c1)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C17H19FN2O/c1-12(9-14-3-2-4-15(18)10-14)20-16-7-5-13(6-8-16)11-17(19)21/h2-8,10,12,20H,9,11H2,1H3,(H2,19,21)
InChIKeyQMNXTRUDMMPSJS-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide

2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide (PubChem CID 115917629) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
PubChem CID115917629
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
SMILESCC(Cc1cccc(F)c1)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C17H19FN2O/c1-12(9-14-3-2-4-15(18)10-14)20-16-7-5-13(6-8-16)11-17(19)21/h2-8,10,12,20H,9,11H2,1H3,(H2,19,21)
InChIKeyQMNXTRUDMMPSJS-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-fluorophenyl)propan-2-ylamino]benzoic acid
CID 114828452
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
N-[1-(3-fluorophenyl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 115916645
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide (CID 115917629) is 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide is CC(Cc1cccc(F)c1)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
The InChIKey is QMNXTRUDMMPSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(9-14-3-2-4-15(18)10-14)20-16-7-5-13(6-8-16)11-17(19)21/h2-8,10,12,20H,9,11H2,1H3,(H2,19,21).
What are the key properties of 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide is sourced from PubChem (CID 115917629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).