5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide

C12H16ClNO2 — CID 115532903

IUPAC5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(C)CCO
InChIInChI=1S/C12H16ClNO2/c1-8-3-4-10(13)7-11(8)12(16)14-9(2)5-6-15/h3-4,7,9,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyOYQSWYSZXTVVPB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide

5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide (PubChem CID 115532903) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
PubChem CID115532903
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(C)CCO
InChIInChI=1S/C12H16ClNO2/c1-8-3-4-10(13)7-11(8)12(16)14-9(2)5-6-15/h3-4,7,9,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyOYQSWYSZXTVVPB-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
5-chloro-N-(1-cyano-2-methylpropyl)-2-methylbenzamide
CID 113329999
5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83176856
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide (CID 115532903) is 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC(C)CCO.
What is the InChIKey of 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
The InChIKey is OYQSWYSZXTVVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-3-4-10(13)7-11(8)12(16)14-9(2)5-6-15/h3-4,7,9,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 115532903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).