3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide

C21H25Cl2NO — CID 133225084

IUPAC3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2NO/c1-15(14-21(2,3)17-7-5-4-6-8-17)24-20(25)12-10-16-9-11-18(22)13-19(16)23/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,24,25)
InChIKeySZWRIYUFUIESQY-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.80
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide

3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide (PubChem CID 133225084) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
PubChem CID133225084
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2NO/c1-15(14-21(2,3)17-7-5-4-6-8-17)24-20(25)12-10-16-9-11-18(22)13-19(16)23/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,24,25)
InChIKeySZWRIYUFUIESQY-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926441
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 100605076
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340
N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47080751
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid
CID 129465879
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 51093653
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
1-(3-chlorophenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154893

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide (CID 133225084) is 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide is CC(CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide?
The InChIKey is SZWRIYUFUIESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c1-15(14-21(2,3)17-7-5-4-6-8-17)24-20(25)12-10-16-9-11-18(22)13-19(16)23/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,24,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide?
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide has a molecular weight of 378.34 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide is sourced from PubChem (CID 133225084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).