4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

C23H20N4O2 — CID 4607440

IUPAC4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-21-14-8-18(9-15-21)23(28)25-19-10-12-20(13-11-19)27-22(16-24-26-27)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,25,28)
InChIKeyPTOBEERULIUOAA-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.59
Rot. Bonds6

About 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 4607440) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID4607440
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-21-14-8-18(9-15-21)23(28)25-19-10-12-20(13-11-19)27-22(16-24-26-27)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,25,28)
InChIKeyPTOBEERULIUOAA-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4-bromophenyl)triazol-1-yl]phenyl]-3,4,5-triethoxybenzamide
CID 5179506
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
CID 4862276
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
CID 168523626
N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067502
N-[4-(5-phenyltriazol-1-yl)phenyl]furan-2-carboxamide
CID 5184795
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (CID 4607440) is 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is PTOBEERULIUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-29-21-14-8-18(9-15-21)23(28)25-19-10-12-20(13-11-19)27-22(16-24-26-27)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,25,28).
What are the key properties of 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 4607440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).