N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide

C16H13ClN4O2 — CID 18084463

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H13ClN4O2/c1-23-15-5-3-2-4-12(15)16(22)20-13-8-11(17)6-7-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyWSYSQJJROVWXST-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.18
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide (PubChem CID 18084463) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
PubChem CID18084463
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C16H13ClN4O2/c1-23-15-5-3-2-4-12(15)16(22)20-13-8-11(17)6-7-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyWSYSQJJROVWXST-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 17417004
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
CID 707927
2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 9454151
4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 16263407
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 18084494
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 18170240
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 24686711
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 24980286
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 9516577
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-methylphenoxy)butanamide
CID 18084486
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 17411863
N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 18084474

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide (CID 18084463) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
The InChIKey is WSYSQJJROVWXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-23-15-5-3-2-4-12(15)16(22)20-13-8-11(17)6-7-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide has a molecular weight of 328.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 18084463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).