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

C19H19N5O2 — CID 32582091

IUPAC4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C19H19N5O2/c1-3-24-12-20-23-18(24)15-5-4-6-17(11-15)22-19(26)14-7-9-16(10-8-14)21-13(2)25/h4-12H,3H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKEHFAKUKHDFOKX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.18
Rot. Bonds5

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

4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 32582091) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID32582091
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C19H19N5O2/c1-3-24-12-20-23-18(24)15-5-4-6-17(11-15)22-19(26)14-7-9-16(10-8-14)21-13(2)25/h4-12H,3H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKEHFAKUKHDFOKX-UHFFFAOYSA-N
XLogP3.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
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]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
3-bromo-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 78875761
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
CID 32581802
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 32582091) is 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide is CCn1cnnc1-c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is KEHFAKUKHDFOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-24-12-20-23-18(24)15-5-4-6-17(11-15)22-19(26)14-7-9-16(10-8-14)21-13(2)25/h4-12H,3H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide?
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 32582091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).