N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

C20H19ClN4O3 — CID 24980594

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1
InChIInChI=1S/C20H19ClN4O3/c1-3-4-14-5-8-18(19(9-14)27-2)28-11-20(26)24-16-10-15(21)6-7-17(16)25-13-22-12-23-25/h3-10,12-13H,11H2,1-2H3,(H,24,26)/b4-3+
InChIKeyUBZROBVZBPFUFY-ONEGZZNKSA-N
MW398.85 g/mol
LogP3.98
Rot. Bonds7

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (PubChem CID 24980594) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
PubChem CID24980594
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1
InChIInChI=1S/C20H19ClN4O3/c1-3-4-14-5-8-18(19(9-14)27-2)28-11-20(26)24-16-10-15(21)6-7-17(16)25-13-22-12-23-25/h3-10,12-13H,11H2,1-2H3,(H,24,26)/b4-3+
InChIKeyUBZROBVZBPFUFY-ONEGZZNKSA-N
XLogP3.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 31527310
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 8794626
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18200362
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 8794748
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 41421726
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 55811842
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] butanoate
CID 7796667
2-O-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505482
5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
CID 24636112

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (CID 24980594) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is C/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The InChIKey is UBZROBVZBPFUFY-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-3-4-14-5-8-18(19(9-14)27-2)28-11-20(26)24-16-10-15(21)6-7-17(16)25-13-22-12-23-25/h3-10,12-13H,11H2,1-2H3,(H,24,26)/b4-3+.
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide has a molecular weight of 398.85 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 24980594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).