N-(4-methoxyphenyl)benzotriazole-1-carboxamide

C14H12N4O2 — CID 87105229

IUPACN-(4-methoxyphenyl)benzotriazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4O2/c1-20-11-8-6-10(7-9-11)15-14(19)18-13-5-3-2-4-12(13)16-17-18/h2-9H,1H3,(H,15,19)
InChIKeyOLDSOBPWWYOZKW-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.52
Rot. Bonds2

About N-(4-methoxyphenyl)benzotriazole-1-carboxamide

N-(4-methoxyphenyl)benzotriazole-1-carboxamide (PubChem CID 87105229) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)benzotriazole-1-carboxamide
PubChem CID87105229
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(4-methoxyphenyl)benzotriazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4O2/c1-20-11-8-6-10(7-9-11)15-14(19)18-13-5-3-2-4-12(13)16-17-18/h2-9H,1H3,(H,15,19)
InChIKeyOLDSOBPWWYOZKW-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-(4-methoxyphenyl)-4-methylindazole-1-carboxamide
CID 22510426
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 10530945
2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2722754
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate
CID 121304473
(4-acetamidophenyl) 2-(benzotriazol-1-yl)acetate
CID 51189087
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 1202370
1-(benzotriazol-1-yl)-2-(4-methylphenoxy)ethanone
CID 14896987
2-(benzotriazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 5112556

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)benzotriazole-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)benzotriazole-1-carboxamide (CID 87105229) is N-(4-methoxyphenyl)benzotriazole-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)benzotriazole-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)benzotriazole-1-carboxamide is COc1ccc(NC(=O)n2nnc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)benzotriazole-1-carboxamide?
The InChIKey is OLDSOBPWWYOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-11-8-6-10(7-9-11)15-14(19)18-13-5-3-2-4-12(13)16-17-18/h2-9H,1H3,(H,15,19).
What are the key properties of N-(4-methoxyphenyl)benzotriazole-1-carboxamide?
N-(4-methoxyphenyl)benzotriazole-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)benzotriazole-1-carboxamide is sourced from PubChem (CID 87105229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).