N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

C18H18N4O2 — CID 111102425

IUPACN-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H18N4O2/c23-17(10-14-4-2-1-3-5-14)11-20-18(24)15-6-8-16(9-7-15)22-13-19-12-21-22/h1-9,12-13,17,23H,10-11H2,(H,20,24)
InChIKeyBLQQOKXNNLFDOD-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.60
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 111102425) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID111102425
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H18N4O2/c23-17(10-14-4-2-1-3-5-14)11-20-18(24)15-6-8-16(9-7-15)22-13-19-12-21-22/h1-9,12-13,17,23H,10-11H2,(H,20,24)
InChIKeyBLQQOKXNNLFDOD-UHFFFAOYSA-N
XLogP1.60
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
(2R)-2-[(4-methylphenyl)methyl]-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 97324634
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729
N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]propan-2-yl]benzamide
CID 25496868
N-(3-phenylsulfanylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 27163926
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
2-methyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513030
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
CID 95770009
4-methyl-2-[[[3-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252775
2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
CID 91343467

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 111102425) is N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCC(O)Cc1ccccc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is BLQQOKXNNLFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(10-14-4-2-1-3-5-14)11-20-18(24)15-6-8-16(9-7-15)22-13-19-12-21-22/h1-9,12-13,17,23H,10-11H2,(H,20,24).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 111102425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).