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

C18H16Cl3F2NO2 — CID 173162270

IUPAC2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide
SMILESCCC(O)(CN(C(=O)CCl)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl3F2NO2/c1-2-18(26,11-3-5-13(20)14(21)7-11)10-24(17(25)9-19)12-4-6-15(22)16(23)8-12/h3-8,26H,2,9-10H2,1H3
InChIKeyIZSXRMKNYSHFKU-UHFFFAOYSA-N
MW422.69 g/mol
LogP5.14
Rot. Bonds6

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

2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 173162270) has the molecular formula C18H16Cl3F2NO2 and a molecular weight of 422.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide
PubChem CID173162270
Molecular FormulaC18H16Cl3F2NO2
Molecular Weight422.69 g/mol
Exact Mass421.02
IUPAC Name2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide
SMILESCCC(O)(CN(C(=O)CCl)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl3F2NO2/c1-2-18(26,11-3-5-13(20)14(21)7-11)10-24(17(25)9-19)12-4-6-15(22)16(23)8-12/h3-8,26H,2,9-10H2,1H3
InChIKeyIZSXRMKNYSHFKU-UHFFFAOYSA-N
XLogP5.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.14
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-phenylacetamide
CID 173162232
3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
3-(4-chloro-3-ethylphenyl)pentan-3-ol
CID 91655907
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
CID 28794782
2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
CID 46914855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide (CID 173162270) is 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide is CCC(O)(CN(C(=O)CCl)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is IZSXRMKNYSHFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3F2NO2/c1-2-18(26,11-3-5-13(20)14(21)7-11)10-24(17(25)9-19)12-4-6-15(22)16(23)8-12/h3-8,26H,2,9-10H2,1H3.
What are the key properties of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide?
2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 422.69 g/mol, XLogP of 5.14, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 173162270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).