N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide

C17H17FN2O2 — CID 134026833

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
SMILESNC(=O)C(NC(=O)CCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c18-14-8-4-5-12(11-14)9-10-15(21)20-16(17(19)22)13-6-2-1-3-7-13/h1-8,11,16H,9-10H2,(H2,19,22)(H,20,21)
InChIKeyHTLZHPKFCGSCIU-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.10
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide (PubChem CID 134026833) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
PubChem CID134026833
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
SMILESNC(=O)C(NC(=O)CCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c18-14-8-4-5-12(11-14)9-10-15(21)20-16(17(19)22)13-6-2-1-3-7-13/h1-8,11,16H,9-10H2,(H2,19,22)(H,20,21)
InChIKeyHTLZHPKFCGSCIU-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
CID 94463666
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 94812771
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
CID 56810885
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 97014635
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-phenylacetamide
CID 94514859
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide (CID 134026833) is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide is NC(=O)C(NC(=O)CCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide?
The InChIKey is HTLZHPKFCGSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-14-8-4-5-12(11-14)9-10-15(21)20-16(17(19)22)13-6-2-1-3-7-13/h1-8,11,16H,9-10H2,(H2,19,22)(H,20,21).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide has a molecular weight of 300.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 134026833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).