2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide

C15H22ClNO2 — CID 109399368

IUPAC2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cccc(C)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-5-11(3)15(4,19)9-17-14(18)12-8-6-7-10(2)13(12)16/h6-8,11,19H,5,9H2,1-4H3,(H,17,18)
InChIKeyDCNHNAWCVQMBDV-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide

2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide (PubChem CID 109399368) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
PubChem CID109399368
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cccc(C)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-5-11(3)15(4,19)9-17-14(18)12-8-6-7-10(2)13(12)16/h6-8,11,19H,5,9H2,1-4H3,(H,17,18)
InChIKeyDCNHNAWCVQMBDV-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571
N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
CID 111595853
N-[2-(bromomethyl)-2-ethylbutyl]-2-chloro-3-methylbenzamide
CID 114164820
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 111477965
2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
CID 115766012
(2S)-3-[(2-chloro-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide (CID 109399368) is 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide is CCC(C)C(C)(O)CNC(=O)c1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide?
The InChIKey is DCNHNAWCVQMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-5-11(3)15(4,19)9-17-14(18)12-8-6-7-10(2)13(12)16/h6-8,11,19H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide?
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide is sourced from PubChem (CID 109399368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).