(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide

C18H18F2N2O2 — CID 94818763

IUPAC(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O2/c19-14-7-8-15(20)13(11-14)6-9-17(23)22-16(18(21)24)10-12-4-2-1-3-5-12/h1-5,7-8,11,16H,6,9-10H2,(H2,21,24)(H,22,23)/t16-/m1/s1
InChIKeyGFVLNUDNFUEZPE-MRXNPFEDSA-N
MW332.35 g/mol
LogP2.11
Rot. Bonds7

About (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide

(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide (PubChem CID 94818763) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
PubChem CID94818763
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O2/c19-14-7-8-15(20)13(11-14)6-9-17(23)22-16(18(21)24)10-12-4-2-1-3-5-12/h1-5,7-8,11,16H,6,9-10H2,(H2,21,24)(H,22,23)/t16-/m1/s1
InChIKeyGFVLNUDNFUEZPE-MRXNPFEDSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
CID 94463666
(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
CID 95288076
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
CID 48731838
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 95773647
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide (CID 94818763) is (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide?
The InChIKey is GFVLNUDNFUEZPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-7-8-15(20)13(11-14)6-9-17(23)22-16(18(21)24)10-12-4-2-1-3-5-12/h1-5,7-8,11,16H,6,9-10H2,(H2,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide?
(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide has a molecular weight of 332.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide is sourced from PubChem (CID 94818763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).