N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide

C14H10Cl2N4O — CID 27077717

IUPACN-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c1-8-2-5-13-12(6-8)18-19-20(13)14(21)17-9-3-4-10(15)11(16)7-9/h2-7H,1H3,(H,17,21)
InChIKeyAVJOTDMDYXHTSW-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.13
Rot. Bonds1

About N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide

N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide (PubChem CID 27077717) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide
PubChem CID27077717
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c1-8-2-5-13-12(6-8)18-19-20(13)14(21)17-9-3-4-10(15)11(16)7-9/h2-7H,1H3,(H,17,21)
InChIKeyAVJOTDMDYXHTSW-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-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-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
N-(4-methoxyphenyl)benzotriazole-1-carboxamide
CID 87105229
1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea
CID 100818916
N-(3-chloro-4-methylphenyl)-4-(1-ethylbenzotriazole-5-carbonyl)piperazine-1-carboxamide
CID 60557574
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-(3,4-dichlorophenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4870540
N-(3,4-dichlorophenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 23821210
(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670304
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide (CID 27077717) is N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide is Cc1ccc2c(c1)nnn2C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide?
The InChIKey is AVJOTDMDYXHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c1-8-2-5-13-12(6-8)18-19-20(13)14(21)17-9-3-4-10(15)11(16)7-9/h2-7H,1H3,(H,17,21).
What are the key properties of N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide?
N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide is sourced from PubChem (CID 27077717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).