N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide

C18H17N5O2 — CID 46421897

IUPACN-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N5O2/c1-2-19-17(24)13-7-6-8-14(11-13)21-18(25)16-12-20-23(22-16)15-9-4-3-5-10-15/h3-12H,2H2,1H3,(H,19,24)(H,21,25)
InChIKeyRMKDVWIKTFNYHX-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.27
Rot. Bonds5

About N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide (PubChem CID 46421897) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
PubChem CID46421897
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N5O2/c1-2-19-17(24)13-7-6-8-14(11-13)21-18(25)16-12-20-23(22-16)15-9-4-3-5-10-15/h3-12H,2H2,1H3,(H,19,24)(H,21,25)
InChIKeyRMKDVWIKTFNYHX-UHFFFAOYSA-N
XLogP2.27
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 86807567
N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150164
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
3-acetamido-N-ethylbenzamide
CID 17230670
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 87028493
2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
CID 47026452
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide (CID 46421897) is N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide is CCNC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is RMKDVWIKTFNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-19-17(24)13-7-6-8-14(11-13)21-18(25)16-12-20-23(22-16)15-9-4-3-5-10-15/h3-12H,2H2,1H3,(H,19,24)(H,21,25).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46421897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).