4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide

C22H27Cl2NO — CID 59121250

IUPAC4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(Cc1ccc(C(=O)NC(C)C(C)C)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H27Cl2NO/c1-14(2)16(4)25-22(26)19-8-5-17(6-9-19)11-15(3)12-18-7-10-20(23)21(24)13-18/h5-10,13-16H,11-12H2,1-4H3,(H,25,26)
InChIKeyICUQSCOWNDYLNX-UHFFFAOYSA-N
MW392.37 g/mol
LogP6.19
Rot. Bonds7

About 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide

4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide (PubChem CID 59121250) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide
PubChem CID59121250
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC Name4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(Cc1ccc(C(=O)NC(C)C(C)C)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H27Cl2NO/c1-14(2)16(4)25-22(26)19-8-5-17(6-9-19)11-15(3)12-18-7-10-20(23)21(24)13-18/h5-10,13-16H,11-12H2,1-4H3,(H,25,26)
InChIKeyICUQSCOWNDYLNX-UHFFFAOYSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide
CID 54349510
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
CID 59121264
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(2-aminoethyl)-N-[1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-2-yl]benzamide
CID 18326378
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
N-[1-[4-[(3,4-dichlorophenyl)methyl]-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-4-methylbenzamide;dihydrochloride
CID 22257752

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide (CID 59121250) is 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide is CC(Cc1ccc(C(=O)NC(C)C(C)C)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is ICUQSCOWNDYLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-14(2)16(4)25-22(26)19-8-5-17(6-9-19)11-15(3)12-18-7-10-20(23)21(24)13-18/h5-10,13-16H,11-12H2,1-4H3,(H,25,26).
What are the key properties of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide?
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 392.37 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 59121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).