3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide

C15H23ClN2O2 — CID 168637118

IUPAC3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1NCC(O)CCl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-15(20)12-5-4-11(3)14(6-12)17-9-13(19)7-16/h4-6,10,13,17,19H,7-9H2,1-3H3,(H,18,20)
InChIKeyCJJKTRLKWHMGQY-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.39
Rot. Bonds7

About 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide

3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 168637118) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID168637118
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1NCC(O)CCl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-15(20)12-5-4-11(3)14(6-12)17-9-13(19)7-16/h4-6,10,13,17,19H,7-9H2,1-3H3,(H,18,20)
InChIKeyCJJKTRLKWHMGQY-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide
CID 168593224
4-methyl-3-(2-methylpropylamino)benzoic acid
CID 43727455
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
3-isocyanato-4-methyl-N-(2-methylpropyl)benzamide
CID 169352563
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
CID 110612624
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 131899479
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide (CID 168637118) is 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)NCC(C)C)cc1NCC(O)CCl.
What is the InChIKey of 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is CJJKTRLKWHMGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)8-18-15(20)12-5-4-11(3)14(6-12)17-9-13(19)7-16/h4-6,10,13,17,19H,7-9H2,1-3H3,(H,18,20).
What are the key properties of 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide?
3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 298.81 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-hydroxypropyl)amino]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 168637118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).