6-amino-6-(2,4-dichlorophenyl)hexanamide

C12H16Cl2N2O — CID 61271207

IUPAC6-amino-6-(2,4-dichlorophenyl)hexanamide
SMILESNC(=O)CCCCC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c13-8-5-6-9(10(14)7-8)11(15)3-1-2-4-12(16)17/h5-7,11H,1-4,15H2,(H2,16,17)
InChIKeyHLOGKOUKUZNOME-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.04
Rot. Bonds6

About 6-amino-6-(2,4-dichlorophenyl)hexanamide

6-amino-6-(2,4-dichlorophenyl)hexanamide (PubChem CID 61271207) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 6-amino-6-(2,4-dichlorophenyl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(2,4-dichlorophenyl)hexanamide
PubChem CID61271207
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name6-amino-6-(2,4-dichlorophenyl)hexanamide
SMILESNC(=O)CCCCC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c13-8-5-6-9(10(14)7-8)11(15)3-1-2-4-12(16)17/h5-7,11H,1-4,15H2,(H2,16,17)
InChIKeyHLOGKOUKUZNOME-UHFFFAOYSA-N
XLogP3.04
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
5-amino-5-(2,5-dichlorophenyl)pentanoic acid
CID 43344691
ethyl 6-amino-6-(2,5-dichlorophenyl)hexanoate
CID 60862342
butyl 3-amino-3-(2,4-dichlorophenyl)propanoate
CID 23109963
1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996
ethyl 6-amino-6-(2-chloro-4-methoxyphenyl)hexanoate
CID 60861847
[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
CID 144705770
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(2,4-dichlorophenyl)hexanamide?
The IUPAC name of 6-amino-6-(2,4-dichlorophenyl)hexanamide (CID 61271207) is 6-amino-6-(2,4-dichlorophenyl)hexanamide.
What is the SMILES notation for 6-amino-6-(2,4-dichlorophenyl)hexanamide?
The canonical SMILES for 6-amino-6-(2,4-dichlorophenyl)hexanamide is NC(=O)CCCCC(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-amino-6-(2,4-dichlorophenyl)hexanamide?
The InChIKey is HLOGKOUKUZNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-8-5-6-9(10(14)7-8)11(15)3-1-2-4-12(16)17/h5-7,11H,1-4,15H2,(H2,16,17).
What are the key properties of 6-amino-6-(2,4-dichlorophenyl)hexanamide?
6-amino-6-(2,4-dichlorophenyl)hexanamide has a molecular weight of 275.18 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(2,4-dichlorophenyl)hexanamide is sourced from PubChem (CID 61271207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).