5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide

C12H16Cl2N2O — CID 82683232

IUPAC5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8(7-15)2-5-12(17)16-11-4-3-9(13)6-10(11)14/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,17)
InChIKeyXFTDEZFFKUTMDM-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.31
Rot. Bonds5

About 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide

5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide (PubChem CID 82683232) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
PubChem CID82683232
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8(7-15)2-5-12(17)16-11-4-3-9(13)6-10(11)14/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,17)
InChIKeyXFTDEZFFKUTMDM-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
CID 81271124
N-(2,4-dichlorophenyl)propanamide
CID 923083
3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
CID 82012587
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide (CID 82683232) is 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide is CC(CN)CCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide?
The InChIKey is XFTDEZFFKUTMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(7-15)2-5-12(17)16-11-4-3-9(13)6-10(11)14/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide?
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide has a molecular weight of 275.18 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide is sourced from PubChem (CID 82683232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).