N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide

C17H16F2N2O2 — CID 94463666

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
SMILESNC(=O)[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C17H16F2N2O2/c18-13-7-8-14(19)12(10-13)6-9-15(22)21-16(17(20)23)11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H2,20,23)(H,21,22)/t16-/m1/s1
InChIKeyFZUJTKGRWGLUCG-MRXNPFEDSA-N
MW318.32 g/mol
LogP2.24
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide (PubChem CID 94463666) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
PubChem CID94463666
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
SMILESNC(=O)[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C17H16F2N2O2/c18-13-7-8-14(19)12(10-13)6-9-15(22)21-16(17(20)23)11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H2,20,23)(H,21,22)/t16-/m1/s1
InChIKeyFZUJTKGRWGLUCG-MRXNPFEDSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
CID 94818763
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-phenylacetamide
CID 94514859
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 97014635
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
2-[(2-nitrosoacetyl)amino]-2-phenylacetamide
CID 143353475

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide (CID 94463666) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide is NC(=O)[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide?
The InChIKey is FZUJTKGRWGLUCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-13-7-8-14(19)12(10-13)6-9-15(22)21-16(17(20)23)11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H2,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide has a molecular weight of 318.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 94463666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).