3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide

C15H20ClNO3 — CID 94820204

IUPAC3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
SMILESC[C@@H](CC[C@H]1CCCO1)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(4-6-12-3-2-8-20-12)17-15(19)11-5-7-14(18)13(16)9-11/h5,7,9-10,12,18H,2-4,6,8H2,1H3,(H,17,19)/t10-,12+/m0/s1
InChIKeyMZVOFXCNSJBYNE-CMPLNLGQSA-N
MW297.78 g/mol
LogP3.12
Rot. Bonds5

About 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide

3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide (PubChem CID 94820204) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
PubChem CID94820204
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
SMILESC[C@@H](CC[C@H]1CCCO1)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(4-6-12-3-2-8-20-12)17-15(19)11-5-7-14(18)13(16)9-11/h5,7,9-10,12,18H,2-4,6,8H2,1H3,(H,17,19)/t10-,12+/m0/s1
InChIKeyMZVOFXCNSJBYNE-CMPLNLGQSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
4-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99793491
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
3-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51131092
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
4,6-dimethyl-2-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-pyridine-3-carboxamide
CID 95906136
1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 94817943
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
CID 47091747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide (CID 94820204) is 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide is C[C@@H](CC[C@H]1CCCO1)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide?
The InChIKey is MZVOFXCNSJBYNE-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(4-6-12-3-2-8-20-12)17-15(19)11-5-7-14(18)13(16)9-11/h5,7,9-10,12,18H,2-4,6,8H2,1H3,(H,17,19)/t10-,12+/m0/s1.
What are the key properties of 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide?
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide has a molecular weight of 297.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide is sourced from PubChem (CID 94820204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).