2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

C12H16ClNO4 — CID 106153598

IUPAC2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO4/c1-18-7-8(4-5-15)14-12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyCYPOZPYZUDBMIJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.17
Rot. Bonds6

About 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (PubChem CID 106153598) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
PubChem CID106153598
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO4/c1-18-7-8(4-5-15)14-12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyCYPOZPYZUDBMIJ-UHFFFAOYSA-N
XLogP1.17
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
CID 107075408
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)furan-3-carboxamide
CID 106899013
2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
CID 114211333
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
CID 106153883

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (CID 106153598) is 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is COCC(CCO)NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The InChIKey is CYPOZPYZUDBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-18-7-8(4-5-15)14-12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide has a molecular weight of 273.72 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 106153598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).