5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide

C14H11BrN4O — CID 66688318

IUPAC5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
SMILESCN(C(=O)n1nnc2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C14H11BrN4O/c1-18(11-5-3-2-4-6-11)14(20)19-13-8-7-10(15)9-12(13)16-17-19/h2-9H,1H3
InChIKeyJMGZTLVTFQFWCM-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.30
Rot. Bonds1

About 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide

5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide (PubChem CID 66688318) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
PubChem CID66688318
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
SMILESCN(C(=O)n1nnc2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C14H11BrN4O/c1-18(11-5-3-2-4-6-11)14(20)19-13-8-7-10(15)9-12(13)16-17-19/h2-9H,1H3
InChIKeyJMGZTLVTFQFWCM-UHFFFAOYSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-N-phenylbenzotriazole-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

6-chloro-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66682959
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3770861
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263
1-(5-bromobenzotriazol-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 91689139
N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
CID 136530360
(E)-3-amino-2-(5-methylbenzotriazol-1-yl)-3-phenylprop-2-enoic acid
CID 175128264
2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
CID 141352408
(2R)-2-(5-bromobenzotriazol-1-yl)butanamide
CID 66989111
methyl (E)-3-amino-2-(5-methylbenzotriazol-1-yl)-3-phenylprop-2-enoate
CID 175712566
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 27189567
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55318611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide (CID 66688318) is 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide is CN(C(=O)n1nnc2cc(Br)ccc21)c1ccccc1.
What is the InChIKey of 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide?
The InChIKey is JMGZTLVTFQFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-18(11-5-3-2-4-6-11)14(20)19-13-8-7-10(15)9-12(13)16-17-19/h2-9H,1H3.
What are the key properties of 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide?
5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide is sourced from PubChem (CID 66688318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).