3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C15H17F3N2O2 — CID 95273694

IUPAC3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-9(21)19-7-6-14(22)20-13-8-11(13)10-4-2-3-5-12(10)15(16,17)18/h2-5,11,13H,6-8H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1
InChIKeyDVKRDXSKEFTYGP-AAEUAGOBSA-N
MW314.31 g/mol
LogP2.20
Rot. Bonds5

About 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 95273694) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID95273694
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O2/c1-9(21)19-7-6-14(22)20-13-8-11(13)10-4-2-3-5-12(10)15(16,17)18/h2-5,11,13H,6-8H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1
InChIKeyDVKRDXSKEFTYGP-AAEUAGOBSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
CID 95273586
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297576
3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297577
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95288333
(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124731048
2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95283670
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 95273694) is 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is CC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is DVKRDXSKEFTYGP-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-9(21)19-7-6-14(22)20-13-8-11(13)10-4-2-3-5-12(10)15(16,17)18/h2-5,11,13H,6-8H2,1H3,(H,19,21)(H,20,22)/t11-,13-/m0/s1.
What are the key properties of 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 314.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 95273694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).