4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide

C12H16ClNO4 — CID 113343606

IUPAC4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H16ClNO4/c1-18-7-9(15)4-5-14-12(17)10-3-2-8(13)6-11(10)16/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyLRPSDLKYAUOYMC-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.17
Rot. Bonds6

About 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide

4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide (PubChem CID 113343606) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
PubChem CID113343606
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H16ClNO4/c1-18-7-9(15)4-5-14-12(17)10-3-2-8(13)6-11(10)16/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyLRPSDLKYAUOYMC-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

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Related Compounds

4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
2-chloro-N-(3-hydroxy-4-methoxybutyl)-4-nitrobenzamide
CID 103877654
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
CID 81076526
2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide (CID 113343606) is 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide is COCC(O)CCNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The InChIKey is LRPSDLKYAUOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-18-7-9(15)4-5-14-12(17)10-3-2-8(13)6-11(10)16/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)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 4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide is sourced from PubChem (CID 113343606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).