N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide

C17H17ClN4O — CID 53051587

IUPACN-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C17H17ClN4O/c1-10(2)22-16-7-4-12(9-15(16)20-21-22)17(23)19-14-6-5-13(18)8-11(14)3/h4-10H,1-3H3,(H,19,23)
InChIKeySONVCXBMUMCLNL-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.23
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide

N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide (PubChem CID 53051587) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
PubChem CID53051587
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C17H17ClN4O/c1-10(2)22-16-7-4-12(9-15(16)20-21-22)17(23)19-14-6-5-13(18)8-11(14)3/h4-10H,1-3H3,(H,19,23)
InChIKeySONVCXBMUMCLNL-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051638
N-(2-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051599
N-[1-(4-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-propylbenzotriazole-5-carboxamide
CID 53093322
N-(4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051601
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111242
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7805763
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide (CID 53051587) is N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)nnn2C(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide?
The InChIKey is SONVCXBMUMCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10(2)22-16-7-4-12(9-15(16)20-21-22)17(23)19-14-6-5-13(18)8-11(14)3/h4-10H,1-3H3,(H,19,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide?
N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53051587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).