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

C18H17BrN4O2 — CID 32572851

IUPAC2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C18H17BrN4O2/c1-3-23-11-20-22-17(23)12-5-4-6-13(9-12)21-18(24)15-10-14(25-2)7-8-16(15)19/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyZLEDFKGJWCJOMD-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.99
Rot. Bonds5

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

2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide (PubChem CID 32572851) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
PubChem CID32572851
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C18H17BrN4O2/c1-3-23-11-20-22-17(23)12-5-4-6-13(9-12)21-18(24)15-10-14(25-2)7-8-16(15)19/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyZLEDFKGJWCJOMD-UHFFFAOYSA-N
XLogP3.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 31917587
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-methoxy-5-nitrobenzamide
CID 32574914
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
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]-5-methylthiophene-2-carboxamide
CID 32582171
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
2-(4-ethylphenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 32581166

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide (CID 32572851) is 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide is CCn1cnnc1-c1cccc(NC(=O)c2cc(OC)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide?
The InChIKey is ZLEDFKGJWCJOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-3-23-11-20-22-17(23)12-5-4-6-13(9-12)21-18(24)15-10-14(25-2)7-8-16(15)19/h4-11H,3H2,1-2H3,(H,21,24).
What are the key properties of 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide?
2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide has a molecular weight of 401.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 32572851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).