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

C22H25Cl2NO — CID 54349510

IUPAC4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(=CCc1ccc(C(=O)NC(C)C(C)C)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2NO/c1-14(2)16(4)25-22(26)18-9-7-17(8-10-18)6-5-15(3)19-11-12-20(23)21(24)13-19/h5,7-14,16H,6H2,1-4H3,(H,25,26)
InChIKeyUESXJTFVFBKGFI-UHFFFAOYSA-N
MW390.35 g/mol
LogP6.41
Rot. Bonds6

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

4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide (PubChem CID 54349510) has the molecular formula C22H25Cl2NO and a molecular weight of 390.35 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide
PubChem CID54349510
Molecular FormulaC22H25Cl2NO
Molecular Weight390.35 g/mol
Exact Mass389.13
IUPAC Name4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(=CCc1ccc(C(=O)NC(C)C(C)C)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2NO/c1-14(2)16(4)25-22(26)18-9-7-17(8-10-18)6-5-15(3)19-11-12-20(23)21(24)13-19/h5,7-14,16H,6H2,1-4H3,(H,25,26)
InChIKeyUESXJTFVFBKGFI-UHFFFAOYSA-N
XLogP6.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide
CID 59121250
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
CID 72522754
1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene
CID 131856850
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
(E)-3-[2-chloro-4-(3-methylbutan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 81308303

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide (CID 54349510) is 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide is CC(=CCc1ccc(C(=O)NC(C)C(C)C)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is UESXJTFVFBKGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO/c1-14(2)16(4)25-22(26)18-9-7-17(8-10-18)6-5-15(3)19-11-12-20(23)21(24)13-19/h5,7-14,16H,6H2,1-4H3,(H,25,26).
What are the key properties of 4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide?
4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 390.35 g/mol, XLogP of 6.41, 6 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)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 54349510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).