N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C17H15ClN4O2 — CID 74247648

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)15(23)9-19-17(24)14-4-2-1-3-13(14)16-20-10-21-22-16/h1-8,10,15,23H,9H2,(H,19,24)(H,20,21,22)
InChIKeyMQIPFHWYCAVZFC-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 74247648) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID74247648
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)15(23)9-19-17(24)14-4-2-1-3-13(14)16-20-10-21-22-16/h1-8,10,15,23H,9H2,(H,19,24)(H,20,21,22)
InChIKeyMQIPFHWYCAVZFC-UHFFFAOYSA-N
XLogP2.59
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
CID 111477059
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55527722
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 74247648) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCC(O)c1ccc(Cl)cc1)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is MQIPFHWYCAVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)15(23)9-19-17(24)14-4-2-1-3-13(14)16-20-10-21-22-16/h1-8,10,15,23H,9H2,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 74247648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).