3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide

C12H12Cl2N4O3 — CID 104817447

IUPAC3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1
InChIInChI=1S/C12H12Cl2N4O3/c1-3-21-12-16-11(17-18-12)15-10(19)6-4-7(13)9(20-2)8(14)5-6/h4-5H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyKDHNZDSHCBLZGA-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.77
Rot. Bonds5

About 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide

3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide (PubChem CID 104817447) has the molecular formula C12H12Cl2N4O3 and a molecular weight of 331.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
PubChem CID104817447
Molecular FormulaC12H12Cl2N4O3
Molecular Weight331.16 g/mol
Exact Mass330.03
IUPAC Name3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1
InChIInChI=1S/C12H12Cl2N4O3/c1-3-21-12-16-11(17-18-12)15-10(19)6-4-7(13)9(20-2)8(14)5-6/h4-5H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyKDHNZDSHCBLZGA-UHFFFAOYSA-N
XLogP2.77
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 104817535
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-iodo-2-methoxybenzamide
CID 104817412
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-iodothiophene-3-carboxamide
CID 104818342
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172
3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
CID 138024221
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide (CID 104817447) is 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide is CCOc1n[nH]c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1.
What is the InChIKey of 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide?
The InChIKey is KDHNZDSHCBLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O3/c1-3-21-12-16-11(17-18-12)15-10(19)6-4-7(13)9(20-2)8(14)5-6/h4-5H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide?
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide has a molecular weight of 331.16 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 104817447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).