3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide

C18H21FN2O — CID 119951809

IUPAC3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
SMILESCC(C)(NC(=O)CC(N)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-18(2,14-9-6-10-15(19)11-14)21-17(22)12-16(20)13-7-4-3-5-8-13/h3-11,16H,12,20H2,1-2H3,(H,21,22)
InChIKeyQBLIVEPPUVHWNE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.27
Rot. Bonds5

About 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide

3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide (PubChem CID 119951809) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
PubChem CID119951809
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
SMILESCC(C)(NC(=O)CC(N)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-18(2,14-9-6-10-15(19)11-14)21-17(22)12-16(20)13-7-4-3-5-8-13/h3-11,16H,12,20H2,1-2H3,(H,21,22)
InChIKeyQBLIVEPPUVHWNE-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119951812
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide (CID 119951809) is 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide is CC(C)(NC(=O)CC(N)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is QBLIVEPPUVHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-18(2,14-9-6-10-15(19)11-14)21-17(22)12-16(20)13-7-4-3-5-8-13/h3-11,16H,12,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide?
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 119951809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).