N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide

C18H14F3N3O — CID 122153691

IUPACN-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESN#Cc1cccc(C2(NC(=O)Cc3cnccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-4-7-23-11-13(15)9-16(25)24-17(5-6-17)14-3-1-2-12(8-14)10-22/h1-4,7-8,11H,5-6,9H2,(H,24,25)
InChIKeyGBBATQNKAOIHHN-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide

N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 122153691) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID122153691
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESN#Cc1cccc(C2(NC(=O)Cc3cnccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-4-7-23-11-13(15)9-16(25)24-17(5-6-17)14-3-1-2-12(8-14)10-22/h1-4,7-8,11H,5-6,9H2,(H,24,25)
InChIKeyGBBATQNKAOIHHN-UHFFFAOYSA-N
XLogP3.32
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
2-(4-methyl-3-pyridinyl)-N-[4-[3-(trifluoromethoxy)phenyl]oxan-4-yl]acetamide
CID 126820035
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
CID 58440227
(3S)-3-(4-cyanophenyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]butanamide
CID 176658521
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-[4-(3-cyanophenyl)oxan-4-yl]urea
CID 154801290
N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 122153524
1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 122156598
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 126824836
4-[[1-(3-cyanophenyl)cyclopropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122027628

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide (CID 122153691) is N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide is N#Cc1cccc(C2(NC(=O)Cc3cnccc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is GBBATQNKAOIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)15-4-7-23-11-13(15)9-16(25)24-17(5-6-17)14-3-1-2-12(8-14)10-22/h1-4,7-8,11H,5-6,9H2,(H,24,25).
What are the key properties of N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 122153691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).