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

C24H19ClN4O — CID 55990912

IUPAC2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CC1c1ccccc1Cl
InChIInChI=1S/C24H19ClN4O/c25-20-12-6-4-10-16(20)18-14-19(18)24(30)26-21-13-7-5-11-17(21)23-27-22(28-29-23)15-8-2-1-3-9-15/h1-13,18-19H,14H2,(H,26,30)(H,27,28,29)
InChIKeyAVHJCLPGUSJQFD-UHFFFAOYSA-N
MW414.90 g/mol
LogP5.53
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 55990912) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID55990912
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC Name2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CC1c1ccccc1Cl
InChIInChI=1S/C24H19ClN4O/c25-20-12-6-4-10-16(20)18-14-19(18)24(30)26-21-13-7-5-11-17(21)23-27-22(28-29-23)15-8-2-1-3-9-15/h1-13,18-19H,14H2,(H,26,30)(H,27,28,29)
InChIKeyAVHJCLPGUSJQFD-UHFFFAOYSA-N
XLogP5.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-4-carboxamide
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CID 119735328
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
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CID 56684744
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trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 40973916
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N-(2-chlorophenyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134055525
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2-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
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5-chloro-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 55990912) is 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AVHJCLPGUSJQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O/c25-20-12-6-4-10-16(20)18-14-19(18)24(30)26-21-13-7-5-11-17(21)23-27-22(28-29-23)15-8-2-1-3-9-15/h1-13,18-19H,14H2,(H,26,30)(H,27,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55990912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).