5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide

C17H14BrClN4O — CID 32581878

IUPAC5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C17H14BrClN4O/c1-2-23-10-20-22-16(23)11-4-3-5-13(8-11)21-17(24)14-9-12(18)6-7-15(14)19/h3-10H,2H2,1H3,(H,21,24)
InChIKeyJXVBMHNAFROZMR-UHFFFAOYSA-N
MW405.68 g/mol
LogP4.63
Rot. Bonds4

About 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide

5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 32581878) has the molecular formula C17H14BrClN4O and a molecular weight of 405.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID32581878
Molecular FormulaC17H14BrClN4O
Molecular Weight405.68 g/mol
Exact Mass404.00
IUPAC Name5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C17H14BrClN4O/c1-2-23-10-20-22-16(23)11-4-3-5-13(8-11)21-17(24)14-9-12(18)6-7-15(14)19/h3-10H,2H2,1H3,(H,21,24)
InChIKeyJXVBMHNAFROZMR-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
CID 32572851
3-bromo-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 78875761
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 31917587
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 32577417
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 32581878) is 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide is CCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is JXVBMHNAFROZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN4O/c1-2-23-10-20-22-16(23)11-4-3-5-13(8-11)21-17(24)14-9-12(18)6-7-15(14)19/h3-10H,2H2,1H3,(H,21,24).
What are the key properties of 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 405.68 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 32581878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).