N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

C19H23ClN2O2 — CID 47092374

IUPACN-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O2/c1-3-16(23)12-22(15-7-5-4-6-8-15)13-19(24)21-18-10-9-14(2)11-17(18)20/h4-11,16,23H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyMTTWWJCJBQXRJF-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.86
Rot. Bonds7

About N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (PubChem CID 47092374) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
PubChem CID47092374
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O2/c1-3-16(23)12-22(15-7-5-4-6-8-15)13-19(24)21-18-10-9-14(2)11-17(18)20/h4-11,16,23H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyMTTWWJCJBQXRJF-UHFFFAOYSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (CID 47092374) is N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is CCC(O)CN(CC(=O)Nc1ccc(C)cc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The InChIKey is MTTWWJCJBQXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-16(23)12-22(15-7-5-4-6-8-15)13-19(24)21-18-10-9-14(2)11-17(18)20/h4-11,16,23H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is sourced from PubChem (CID 47092374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).