2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide

C15H19ClN4O2 — CID 100906985

IUPAC2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-10(2)14(7-21)19-15(22)12-6-11(4-5-13(12)16)20-8-17-18-9-20/h4-6,8-10,14,21H,3,7H2,1-2H3,(H,19,22)/t10-,14+/m1/s1
InChIKeyLNJIGYJKBSVDND-YGRLFVJLSA-N
MW322.80 g/mol
LogP2.06
Rot. Bonds6

About 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 100906985) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID100906985
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-3-10(2)14(7-21)19-15(22)12-6-11(4-5-13(12)16)20-8-17-18-9-20/h4-6,8-10,14,21H,3,7H2,1-2H3,(H,19,22)/t10-,14+/m1/s1
InChIKeyLNJIGYJKBSVDND-YGRLFVJLSA-N
XLogP2.06
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 834464
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
2-chloro-N-[(1S)-1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 51495989
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1242037
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 100906614
propan-2-yl 2-chloro-4-(1,2,4-triazol-4-yl)benzoate
CID 102538463
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
2-bromo-N-[(1R)-1-phenylethyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701500
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
3-[[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6955830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide (CID 100906985) is 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide is CC[C@@H](C)[C@H](CO)NC(=O)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is LNJIGYJKBSVDND-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-10(2)14(7-21)19-15(22)12-6-11(4-5-13(12)16)20-8-17-18-9-20/h4-6,8-10,14,21H,3,7H2,1-2H3,(H,19,22)/t10-,14+/m1/s1.
What are the key properties of 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 322.80 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 100906985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).