3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide

C18H16ClN5O3 — CID 55850055

IUPAC3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1-c1nc(NC(=O)CNC(=O)c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C18H16ClN5O3/c1-27-14-8-3-2-7-13(14)16-22-18(24-23-16)21-15(25)10-20-17(26)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)
InChIKeyJHWUQDTZWINOOU-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.50
Rot. Bonds6

About 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 55850055) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID55850055
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1-c1nc(NC(=O)CNC(=O)c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C18H16ClN5O3/c1-27-14-8-3-2-7-13(14)16-22-18(24-23-16)21-15(25)10-20-17(26)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25)
InChIKeyJHWUQDTZWINOOU-UHFFFAOYSA-N
XLogP2.50
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55850056
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 55646276
7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 55850180
3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 112821673
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
CID 56508879
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide (CID 55850055) is 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide is COc1ccccc1-c1nc(NC(=O)CNC(=O)c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is JHWUQDTZWINOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-27-14-8-3-2-7-13(14)16-22-18(24-23-16)21-15(25)10-20-17(26)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3,(H,20,26)(H2,21,22,23,24,25).
What are the key properties of 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 385.81 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55850055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).