N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

C19H19ClN4O2 — CID 46399207

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-12(2)26-17-10-9-14(11-16(17)20)21-19(25)18-13(3)22-24(23-18)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,21,25)
InChIKeyRXHCXMLGBHNUGF-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.27
Rot. Bonds5

About N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 46399207) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID46399207
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-12(2)26-17-10-9-14(11-16(17)20)21-19(25)18-13(3)22-24(23-18)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,21,25)
InChIKeyRXHCXMLGBHNUGF-UHFFFAOYSA-N
XLogP4.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
CID 120588419
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 46399207) is N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is RXHCXMLGBHNUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12(2)26-17-10-9-14(11-16(17)20)21-19(25)18-13(3)22-24(23-18)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,21,25).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46399207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).