2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C19H20N4O3 — CID 45352345

IUPAC2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(-n3cncn3)cc2)c1OC
InChIInChI=1S/C19H20N4O3/c1-13(14-7-9-15(10-8-14)23-12-20-11-21-23)22-19(24)16-5-4-6-17(25-2)18(16)26-3/h4-13H,1-3H3,(H,22,24)
InChIKeyHGGYWPZHPOEHQV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds6

About 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 45352345) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID45352345
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(-n3cncn3)cc2)c1OC
InChIInChI=1S/C19H20N4O3/c1-13(14-7-9-15(10-8-14)23-12-20-11-21-23)22-19(24)16-5-4-6-17(25-2)18(16)26-3/h4-13H,1-3H3,(H,22,24)
InChIKeyHGGYWPZHPOEHQV-UHFFFAOYSA-N
XLogP2.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574206
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31309262
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
2,3-dichloro-N-[1-oxo-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]propan-2-yl]benzamide
CID 55741370

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 45352345) is 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is COc1cccc(C(=O)NC(C)c2ccc(-n3cncn3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is HGGYWPZHPOEHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(14-7-9-15(10-8-14)23-12-20-11-21-23)22-19(24)16-5-4-6-17(25-2)18(16)26-3/h4-13H,1-3H3,(H,22,24).
What are the key properties of 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 45352345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).