4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide

C15H20F2N2O2 — CID 120651525

IUPAC4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide
SMILESCCN[C@H](C)CNC(=O)CCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-18-10(2)9-19-15(21)7-6-14(20)11-4-5-12(16)13(17)8-11/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyFGBMMQOFOYEIGF-SNVBAGLBSA-N
MW298.33 g/mol
LogP2.04
Rot. Bonds8

About 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide

4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide (PubChem CID 120651525) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide
PubChem CID120651525
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide
SMILESCCN[C@H](C)CNC(=O)CCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-18-10(2)9-19-15(21)7-6-14(20)11-4-5-12(16)13(17)8-11/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyFGBMMQOFOYEIGF-SNVBAGLBSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 120653209
N-butan-2-yl-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 112511074
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
4-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431245
4-[[4-(3,4-difluorophenyl)-4-oxobutanoyl]amino]butanoic acid
CID 119352843
(2R)-2-[[4-(3,4-difluorophenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119364252
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide (CID 120651525) is 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide is CCN[C@H](C)CNC(=O)CCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide?
The InChIKey is FGBMMQOFOYEIGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-18-10(2)9-19-15(21)7-6-14(20)11-4-5-12(16)13(17)8-11/h4-5,8,10,18H,3,6-7,9H2,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide?
4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide has a molecular weight of 298.33 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-4-oxobutanamide is sourced from PubChem (CID 120651525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).