N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C19H20N4O2 — CID 110021549

IUPACN-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cccc(C(O)CNC(=O)c2ccc(-c3ncn(C)n3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-13-4-3-5-16(10-13)17(24)11-20-19(25)15-8-6-14(7-9-15)18-21-12-23(2)22-18/h3-10,12,17,24H,11H2,1-2H3,(H,20,25)
InChIKeyAZGOAVXGXFBDFM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.25
Rot. Bonds5

About N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 110021549) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID110021549
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cccc(C(O)CNC(=O)c2ccc(-c3ncn(C)n3)cc2)c1
InChIInChI=1S/C19H20N4O2/c1-13-4-3-5-16(10-13)17(24)11-20-19(25)15-8-6-14(7-9-15)18-21-12-23(2)22-18/h3-10,12,17,24H,11H2,1-2H3,(H,20,25)
InChIKeyAZGOAVXGXFBDFM-UHFFFAOYSA-N
XLogP2.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021673
N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020251
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
3-methyl-N-[2-[methyl-[4-(1-methyl-1,2,4-triazol-3-yl)benzoyl]amino]-2-phenylethyl]-5-methylsulfanylfuran-2-carboxamide
CID 166389753
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
CID 125443881
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 95876220
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2,2-diethyl-4-hydroxybutyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021503
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 110021549) is N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cc1cccc(C(O)CNC(=O)c2ccc(-c3ncn(C)n3)cc2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is AZGOAVXGXFBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-4-3-5-16(10-13)17(24)11-20-19(25)15-8-6-14(7-9-15)18-21-12-23(2)22-18/h3-10,12,17,24H,11H2,1-2H3,(H,20,25).
What are the key properties of N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110021549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).