N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide

C14H11ClN4O — CID 3155651

IUPACN-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C14H11ClN4O/c1-19-13-7-2-9(8-12(13)17-18-19)14(20)16-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,20)
InChIKeyACFBDMXGUYGWSR-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.87
Rot. Bonds2

About N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide

N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide (PubChem CID 3155651) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide
PubChem CID3155651
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C14H11ClN4O/c1-19-13-7-2-9(8-12(13)17-18-19)14(20)16-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,20)
InChIKeyACFBDMXGUYGWSR-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-1-methylbenzotriazole-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

2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide
CID 156026028
1-(4-Chlorobenzoyl)-1H-benzotriazole
CID 746939
N-(2-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 24790967
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
CID 900745
1-Methyl-1H-benzotriazole-5-carboxylic acid (2-fluoro-phenyl)-amide
CID 1088543
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
CID 15959246
N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 644913
N-[4-(dimethylamino)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 753013
N-cyclohexyl-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 900740
1-methyl-N-(4-methylphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 900757
N-[2-(1-cyclohexen-1-yl)ethyl]-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 977104

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide (CID 3155651) is N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide?
The InChIKey is ACFBDMXGUYGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-19-13-7-2-9(8-12(13)17-18-19)14(20)16-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,20).
What are the key properties of N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide?
N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 3155651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).