3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide

C15H15F3N4O2 — CID 154795585

IUPAC3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)11-9-20-14(21-11)22-12(23)6-7-19-13(24)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,24)(H2,20,21,22,23)
InChIKeyNEDPXQDEHMPLJS-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.12
Rot. Bonds6

About 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide

3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide (PubChem CID 154795585) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
PubChem CID154795585
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)11-9-20-14(21-11)22-12(23)6-7-19-13(24)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,24)(H2,20,21,22,23)
InChIKeyNEDPXQDEHMPLJS-UHFFFAOYSA-N
XLogP2.12
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134779
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 39231388
3-[(2-phenylacetyl)amino]-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]propanamide
CID 49026626
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 51103073

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
The IUPAC name of 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide (CID 154795585) is 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide.
What is the SMILES notation for 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
The canonical SMILES for 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
The InChIKey is NEDPXQDEHMPLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)11-9-20-14(21-11)22-12(23)6-7-19-13(24)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,24)(H2,20,21,22,23).
What are the key properties of 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide has a molecular weight of 340.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide is sourced from PubChem (CID 154795585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).