2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide

C14H17F2N3O3 — CID 85063983

IUPAC2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide
SMILESCC(NC(=O)C(C)NC(=O)Cc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C14H17F2N3O3/c1-7(13(17)21)19-14(22)8(2)18-12(20)5-9-3-10(15)6-11(16)4-9/h3-4,6-8H,5H2,1-2H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyKRHPKESQULRUBD-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.00
Rot. Bonds6

About 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide

2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide (PubChem CID 85063983) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide.

Molecular Properties

Compound Name2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide
PubChem CID85063983
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide
SMILESCC(NC(=O)C(C)NC(=O)Cc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C14H17F2N3O3/c1-7(13(17)21)19-14(22)8(2)18-12(20)5-9-3-10(15)6-11(16)4-9/h3-4,6-8H,5H2,1-2H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyKRHPKESQULRUBD-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22491961
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973
tert-butyl (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoate
CID 163198765
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-(4-methoxyphenyl)acetate
CID 10180421
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-4-phenylbutanoic acid
CID 174418138
benzyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoate
CID 10162841
2-methylpropyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 142643268
tert-butyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-2-phenylacetate
CID 2956
benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22492201
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide?
The IUPAC name of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide (CID 85063983) is 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide.
What is the SMILES notation for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide?
The canonical SMILES for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide is CC(NC(=O)C(C)NC(=O)Cc1cc(F)cc(F)c1)C(N)=O.
What is the InChIKey of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide?
The InChIKey is KRHPKESQULRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c1-7(13(17)21)19-14(22)8(2)18-12(20)5-9-3-10(15)6-11(16)4-9/h3-4,6-8H,5H2,1-2H3,(H2,17,21)(H,18,20)(H,19,22).
What are the key properties of 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide?
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide has a molecular weight of 313.30 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide is sourced from PubChem (CID 85063983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).