4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide

C13H16ClNO3 — CID 22761225

IUPAC4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
SMILESCC(C)(C)C(=O)C(O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-13(2,3)10(16)12(18)15-11(17)8-4-6-9(14)7-5-8/h4-7,12,18H,1-3H3,(H,15,17)
InChIKeyZVQSDSQJEPWARO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide

4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide (PubChem CID 22761225) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
PubChem CID22761225
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
SMILESCC(C)(C)C(=O)C(O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-13(2,3)10(16)12(18)15-11(17)8-4-6-9(14)7-5-8/h4-7,12,18H,1-3H3,(H,15,17)
InChIKeyZVQSDSQJEPWARO-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-propan-2-ylbenzamide
CID 24045
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 34256272
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzamide;4-chloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide;trichlorophosphane
CID 160762926
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
4-chloro-N-(1-oxopropan-2-yl)benzamide
CID 54017206
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
N-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethyl]-4-methylbenzamide
CID 45142516
tert-butyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
CID 80703086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide (CID 22761225) is 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide is CC(C)(C)C(=O)C(O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide?
The InChIKey is ZVQSDSQJEPWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2,3)10(16)12(18)15-11(17)8-4-6-9(14)7-5-8/h4-7,12,18H,1-3H3,(H,15,17).
What are the key properties of 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide?
4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide is sourced from PubChem (CID 22761225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).