4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide

C14H20Cl2N2O — CID 120562053

IUPAC4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(8-18-13(19)7-6-10(2)17)14-11(15)4-3-5-12(14)16/h3-5,9-10H,6-8,17H2,1-2H3,(H,18,19)
InChIKeyFIMDZZBPBQDZFV-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.34
Rot. Bonds6

About 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide

4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide (PubChem CID 120562053) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
PubChem CID120562053
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(8-18-13(19)7-6-10(2)17)14-11(15)4-3-5-12(14)16/h3-5,9-10H,6-8,17H2,1-2H3,(H,18,19)
InChIKeyFIMDZZBPBQDZFV-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 119315009
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119768749
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
ethyl 3-(2,6-dichlorophenyl)butanoate
CID 145081083
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide (CID 120562053) is 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide is CC(N)CCC(=O)NCC(C)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide?
The InChIKey is FIMDZZBPBQDZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(8-18-13(19)7-6-10(2)17)14-11(15)4-3-5-12(14)16/h3-5,9-10H,6-8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide?
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide has a molecular weight of 303.23 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide is sourced from PubChem (CID 120562053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).