N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide

C17H15ClN4O2 — CID 110004658

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H15ClN4O2/c18-14-5-1-12(2-6-14)16(9-23)21-17(24)13-3-7-15(8-4-13)22-11-19-10-20-22/h1-8,10-11,16,23H,9H2,(H,21,24)
InChIKeyUZGSQWNAGGAJGQ-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 110004658) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID110004658
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H15ClN4O2/c18-14-5-1-12(2-6-14)16(9-23)21-17(24)13-3-7-15(8-4-13)22-11-19-10-20-22/h1-8,10-11,16,23H,9H2,(H,21,24)
InChIKeyUZGSQWNAGGAJGQ-UHFFFAOYSA-N
XLogP2.38
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729
N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 56521068
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
CID 55561337
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110004301
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
CID 110004555
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 110004658) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(NC(CO)c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is UZGSQWNAGGAJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-14-5-1-12(2-6-14)16(9-23)21-17(24)13-3-7-15(8-4-13)22-11-19-10-20-22/h1-8,10-11,16,23H,9H2,(H,21,24).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 110004658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).