2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide

C20H23Cl2NO2 — CID 144603664

IUPAC2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
SMILESCCC(CC)(CNC(=O)c1cccc(Cl)c1Cl)c1ccc(OC)cc1
InChIInChI=1S/C20H23Cl2NO2/c1-4-20(5-2,14-9-11-15(25-3)12-10-14)13-23-19(24)16-7-6-8-17(21)18(16)22/h6-12H,4-5,13H2,1-3H3,(H,23,24)
InChIKeyNXKDUATYVDFCGL-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.49
Rot. Bonds7

About 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide

2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide (PubChem CID 144603664) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
PubChem CID144603664
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
SMILESCCC(CC)(CNC(=O)c1cccc(Cl)c1Cl)c1ccc(OC)cc1
InChIInChI=1S/C20H23Cl2NO2/c1-4-20(5-2,14-9-11-15(25-3)12-10-14)13-23-19(24)16-7-6-8-17(21)18(16)22/h6-12H,4-5,13H2,1-3H3,(H,23,24)
InChIKeyNXKDUATYVDFCGL-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
CID 60621749
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 113090462
methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 134015725
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
CID 139676098
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide (CID 144603664) is 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide is CCC(CC)(CNC(=O)c1cccc(Cl)c1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide?
The InChIKey is NXKDUATYVDFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-4-20(5-2,14-9-11-15(25-3)12-10-14)13-23-19(24)16-7-6-8-17(21)18(16)22/h6-12H,4-5,13H2,1-3H3,(H,23,24).
What are the key properties of 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide?
2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide has a molecular weight of 380.32 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide is sourced from PubChem (CID 144603664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).