2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C18H15ClF3N3O2 — CID 175338769

IUPAC2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(NC(=O)C(c1cc(C(F)(F)F)ccn1)c1ccccc1Cl)NC1CC1
InChIInChI=1S/C18H15ClF3N3O2/c19-13-4-2-1-3-12(13)15(16(26)25-17(27)24-11-5-6-11)14-9-10(7-8-23-14)18(20,21)22/h1-4,7-9,11,15H,5-6H2,(H2,24,25,26,27)
InChIKeyCOOYJVQOIOMDFF-UHFFFAOYSA-N
MW397.78 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 175338769) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID175338769
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC Name2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(NC(=O)C(c1cc(C(F)(F)F)ccn1)c1ccccc1Cl)NC1CC1
InChIInChI=1S/C18H15ClF3N3O2/c19-13-4-2-1-3-12(13)15(16(26)25-17(27)24-11-5-6-11)14-9-10(7-8-23-14)18(20,21)22/h1-4,7-9,11,15H,5-6H2,(H2,24,25,26,27)
InChIKeyCOOYJVQOIOMDFF-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(trideuteriomethylamino)methylcarbamoyl]-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 175786941
2-(2-fluorophenyl)-N-(methylcarbamothioyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 166065235
2-(2-chlorophenyl)-N-(methylcarbamoyl)-2-(4-methyl-2-pyridinyl)acetamide
CID 175338738
2-(2,6-dimethylphenyl)-N-(methylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 175338732
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 166065262
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 55048150
N-(cyclopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18124258
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7506538
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium
CID 9306248

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 175338769) is 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(NC(=O)C(c1cc(C(F)(F)F)ccn1)c1ccccc1Cl)NC1CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is COOYJVQOIOMDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c19-13-4-2-1-3-12(13)15(16(26)25-17(27)24-11-5-6-11)14-9-10(7-8-23-14)18(20,21)22/h1-4,7-9,11,15H,5-6H2,(H2,24,25,26,27).
What are the key properties of 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 397.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(cyclopropylcarbamoyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175338769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).