3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide

C12H16ClNO3 — CID 113470520

IUPAC3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
SMILESCOCC(C)(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-12(2,7-17-3)14-11(16)8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyRQXPBRIPIMXKRT-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.20
Rot. Bonds4

About 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide

3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide (PubChem CID 113470520) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
PubChem CID113470520
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
SMILESCOCC(C)(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H16ClNO3/c1-12(2,7-17-3)14-11(16)8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyRQXPBRIPIMXKRT-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-4-hydroxybenzamide
CID 107867994
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 113470453
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide
CID 113472136
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115606615
3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 115606622
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
3-chloro-5-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 113470451
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide (CID 113470520) is 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide is COCC(C)(C)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
The InChIKey is RQXPBRIPIMXKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-12(2,7-17-3)14-11(16)8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide?
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide has a molecular weight of 257.72 g/mol, XLogP of 2.20, 4 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-(1-methoxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 113470520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).