N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide

C17H15ClN4O3 — CID 18084474

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC
InChIInChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)
InChIKeySMVRQKDHIRRQCD-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.19
Rot. Bonds5

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 18084474) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID18084474
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC
InChIInChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)
InChIKeySMVRQKDHIRRQCD-UHFFFAOYSA-N
XLogP3.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 131801162
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-(cyclopropylmethoxy)-3-methoxybenzamide
CID 137321168
2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 17417004
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]-4-ethoxy-3-methoxybenzamide
CID 24686711
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 24980286
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 24980594
4-ethoxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145953031
3-methoxy-4-propan-2-yloxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145955650
3-methoxy-4-propoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145958691
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-cyclopropoxy-3-methoxybenzamide
CID 145958897
4-cyclobutyloxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 168283516

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide (CID 18084474) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is SMVRQKDHIRRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 358.79 g/mol, XLogP of 3.19, 5 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]-3,4-dimethoxybenzamide is sourced from PubChem (CID 18084474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).