2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

C20H19ClN4O — CID 49159046

IUPAC2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O/c21-17-3-1-2-16(8-17)18-9-19(18)20(26)23-10-14-4-6-15(7-5-14)11-25-13-22-12-24-25/h1-8,12-13,18-19H,9-11H2,(H,23,26)
InChIKeyQFYZTDFOUBXDKY-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.40
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 49159046) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID49159046
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O/c21-17-3-1-2-16(8-17)18-9-19(18)20(26)23-10-14-4-6-15(7-5-14)11-25-13-22-12-24-25/h1-8,12-13,18-19H,9-11H2,(H,23,26)
InChIKeyQFYZTDFOUBXDKY-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645
(2R,3R)-2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]oxane-3-carboxamide
CID 129401715
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119838492
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916
3-amino-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119838440
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 97014244
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95764847
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42929631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 49159046) is 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(Cn2cncn2)cc1)C1CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is QFYZTDFOUBXDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-3-1-2-16(8-17)18-9-19(18)20(26)23-10-14-4-6-15(7-5-14)11-25-13-22-12-24-25/h1-8,12-13,18-19H,9-11H2,(H,23,26).
What are the key properties of 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49159046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).