1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H14ClF3N4O — CID 53233723

IUPAC1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H14ClF3N4O/c20-14-3-1-2-12(8-14)18(6-7-18)17(28)26-15-9-13(19(21,22)23)4-5-16(15)27-11-24-10-25-27/h1-5,8-11H,6-7H2,(H,26,28)
InChIKeyITIPKGNWMPCWFJ-UHFFFAOYSA-N
MW406.80 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 53233723) has the molecular formula C19H14ClF3N4O and a molecular weight of 406.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID53233723
Molecular FormulaC19H14ClF3N4O
Molecular Weight406.80 g/mol
Exact Mass406.08
IUPAC Name1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H14ClF3N4O/c20-14-3-1-2-12(8-14)18(6-7-18)17(28)26-15-9-13(19(21,22)23)4-5-16(15)27-11-24-10-25-27/h1-5,8-11H,6-7H2,(H,26,28)
InChIKeyITIPKGNWMPCWFJ-UHFFFAOYSA-N
XLogP4.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 8097905
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 24686140
N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8025189
7-Methyl-4-(3-[1,2,4]triazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 18548737
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2334526
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026
2-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 9504912
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 53233722
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-difluorobenzamide
CID 8794629
3-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 4828655

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 53233723) is 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ITIPKGNWMPCWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O/c20-14-3-1-2-12(8-14)18(6-7-18)17(28)26-15-9-13(19(21,22)23)4-5-16(15)27-11-24-10-25-27/h1-5,8-11H,6-7H2,(H,26,28).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 406.80 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 53233723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).