(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C17H15ClN4O2 — CID 119043099

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)[C@H](O)c3ccccc3Cl)c2)n[nH]1
InChIInChI=1S/C17H15ClN4O2/c1-10-19-16(22-21-10)11-5-4-6-12(9-11)20-17(24)15(23)13-7-2-3-8-14(13)18/h2-9,15,23H,1H3,(H,20,24)(H,19,21,22)/t15-/m1/s1
InChIKeyFSHDLOAFDAIWTG-OAHLLOKOSA-N
MW342.79 g/mol
LogP3.11
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 119043099) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID119043099
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)[C@H](O)c3ccccc3Cl)c2)n[nH]1
InChIInChI=1S/C17H15ClN4O2/c1-10-19-16(22-21-10)11-5-4-6-12(9-11)20-17(24)15(23)13-7-2-3-8-14(13)18/h2-9,15,23H,1H3,(H,20,24)(H,19,21,22)/t15-/m1/s1
InChIKeyFSHDLOAFDAIWTG-OAHLLOKOSA-N
XLogP3.11
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
2-(2-chlorophenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131949596
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119298771
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 131899761
(2S)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 95646211
3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 131913057
N-[(2-chlorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935874
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 119043099) is (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)[C@H](O)c3ccccc3Cl)c2)n[nH]1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is FSHDLOAFDAIWTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-19-16(22-21-10)11-5-4-6-12(9-11)20-17(24)15(23)13-7-2-3-8-14(13)18/h2-9,15,23H,1H3,(H,20,24)(H,19,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 342.79 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 119043099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).