N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

C23H18Cl2N4O4 — CID 135899141

IUPACN-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C23H18Cl2N4O4/c1-28(12-13-6-2-3-7-16(13)24)22(32)15-10-14(19(30)11-20(15)31)21-26-27-23(33)29(21)18-9-5-4-8-17(18)25/h2-11,30-31H,12H2,1H3,(H,27,33)
InChIKeyAYVLYOYDDZTVCQ-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.22
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (PubChem CID 135899141) has the molecular formula C23H18Cl2N4O4 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
PubChem CID135899141
Molecular FormulaC23H18Cl2N4O4
Molecular Weight485.33 g/mol
Exact Mass484.07
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C23H18Cl2N4O4/c1-28(12-13-6-2-3-7-16(13)24)22(32)15-10-14(19(30)11-20(15)31)21-26-27-23(33)29(21)18-9-5-4-8-17(18)25/h2-11,30-31H,12H2,1H3,(H,27,33)
InChIKeyAYVLYOYDDZTVCQ-UHFFFAOYSA-N
XLogP4.22
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-[[2-[2-(methylamino)ethoxy]phenyl]methyl]benzamide
CID 135899218
5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-N-[(3-fluorophenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 135899104
3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
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CID 79532591
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
4-(2-chlorophenyl)-3-[2-(2-hydroxyphenyl)ethyl]-1H-1,2,4-triazol-5-one
CID 50957051
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethoxy]phenyl]methyl]benzamide
CID 135910358
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (CID 135899141) is N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is CN(Cc1ccccc1Cl)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2Cl)c(O)cc1O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is AYVLYOYDDZTVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4/c1-28(12-13-6-2-3-7-16(13)24)22(32)15-10-14(19(30)11-20(15)31)21-26-27-23(33)29(21)18-9-5-4-8-17(18)25/h2-11,30-31H,12H2,1H3,(H,27,33).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 485.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 135899141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).