4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide

C11H14ClNO3 — CID 62335326

IUPAC4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C11H14ClNO3/c1-7(14)6-13(2)11(16)9-4-3-8(12)5-10(9)15/h3-5,7,14-15H,6H2,1-2H3
InChIKeySSISSHSRJGFIRK-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.50
Rot. Bonds3

About 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide

4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide (PubChem CID 62335326) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
PubChem CID62335326
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C11H14ClNO3/c1-7(14)6-13(2)11(16)9-4-3-8(12)5-10(9)15/h3-5,7,14-15H,6H2,1-2H3
InChIKeySSISSHSRJGFIRK-UHFFFAOYSA-N
XLogP1.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide (CID 62335326) is 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide is CC(O)CN(C)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
The InChIKey is SSISSHSRJGFIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(14)6-13(2)11(16)9-4-3-8(12)5-10(9)15/h3-5,7,14-15H,6H2,1-2H3.
What are the key properties of 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide?
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide has a molecular weight of 243.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide is sourced from PubChem (CID 62335326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).