N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide

C16H16N4O — CID 27162728

IUPACN-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C16H16N4O/c1-10(2)11-3-6-13(7-4-11)17-16(21)12-5-8-14-15(9-12)19-20-18-14/h3-10H,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyBNEAZEITOJAEAL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.33
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide

N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide (PubChem CID 27162728) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
PubChem CID27162728
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C16H16N4O/c1-10(2)11-3-6-13(7-4-11)17-16(21)12-5-8-14-15(9-12)19-20-18-14/h3-10H,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyBNEAZEITOJAEAL-UHFFFAOYSA-N
XLogP3.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274164
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 29406369
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
3-[4-(2H-benzotriazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 66965268
N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide (CID 27162728) is N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2ccc3n[nH]nc3c2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is BNEAZEITOJAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10(2)11-3-6-13(7-4-11)17-16(21)12-5-8-14-15(9-12)19-20-18-14/h3-10H,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide?
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 27162728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).