2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide

C18H18Cl3NO2 — CID 173162232

IUPAC2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide
SMILESCCC(O)(CN(C(=O)CCl)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3NO2/c1-2-18(24,13-8-9-15(20)16(21)10-13)12-22(17(23)11-19)14-6-4-3-5-7-14/h3-10,24H,2,11-12H2,1H3
InChIKeyXKUJNZLMAMOZTA-UHFFFAOYSA-N
MW386.71 g/mol
LogP4.86
Rot. Bonds6

About 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide

2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide (PubChem CID 173162232) has the molecular formula C18H18Cl3NO2 and a molecular weight of 386.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide
PubChem CID173162232
Molecular FormulaC18H18Cl3NO2
Molecular Weight386.71 g/mol
Exact Mass385.04
IUPAC Name2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide
SMILESCCC(O)(CN(C(=O)CCl)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3NO2/c1-2-18(24,13-8-9-15(20)16(21)10-13)12-22(17(23)11-19)14-6-4-3-5-7-14/h3-10,24H,2,11-12H2,1H3
InChIKeyXKUJNZLMAMOZTA-UHFFFAOYSA-N
XLogP4.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.71
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide
CID 173162270
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
3-(4-chloro-3-ethylphenyl)pentan-3-ol
CID 91655907
3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 112996883
3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
CID 57144234
bis(2-chloro-N-phenyl-N-propan-2-ylacetamide);bis(N-(3,4-dichlorophenyl)propanamide)
CID 173369864
2-chloro-N-(chloromethyl)-2-ethyl-N-phenylbutanamide
CID 19873476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide (CID 173162232) is 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide is CCC(O)(CN(C(=O)CCl)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide?
The InChIKey is XKUJNZLMAMOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO2/c1-2-18(24,13-8-9-15(20)16(21)10-13)12-22(17(23)11-19)14-6-4-3-5-7-14/h3-10,24H,2,11-12H2,1H3.
What are the key properties of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide?
2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide has a molecular weight of 386.71 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide is sourced from PubChem (CID 173162232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).