3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide

C14H20ClNO2 — CID 103895299

IUPAC3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-6-7-10(8-11(9)15)12(17)16-13(2,3)14(4,5)18/h6-8,18H,1-5H3,(H,16,17)
InChIKeyCMHNLTAZNKFQBL-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds3

About 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide

3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide (PubChem CID 103895299) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
PubChem CID103895299
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-6-7-10(8-11(9)15)12(17)16-13(2,3)14(4,5)18/h6-8,18H,1-5H3,(H,16,17)
InChIKeyCMHNLTAZNKFQBL-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 103895621
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide
CID 76988274
3-chloro-N-(3-cyanopentan-3-yl)-4-methylbenzamide
CID 55163737
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
3-chloro-N-cyano-4-methylbenzamide
CID 79194482
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
N-(4-bromo-2,2-dimethylbutyl)-3-chloro-4-methylbenzamide
CID 114149388
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 103895529
3-chloro-4-methyl-N-phenacylbenzamide
CID 64991400
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide (CID 103895299) is 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
The InChIKey is CMHNLTAZNKFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-6-7-10(8-11(9)15)12(17)16-13(2,3)14(4,5)18/h6-8,18H,1-5H3,(H,16,17).
What are the key properties of 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 103895299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).