N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide

C18H27Cl2NO — CID 150273254

IUPACN-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
SMILESCCCCCCCC(CC)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H27Cl2NO/c1-3-5-6-7-8-9-15(4-2)18(22)21-13-14-10-11-16(19)17(20)12-14/h10-12,15H,3-9,13H2,1-2H3,(H,21,22)
InChIKeyGEAAUBQNEAPYQF-UHFFFAOYSA-N
MW344.33 g/mol
LogP6.00
Rot. Bonds10

About N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide

N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide (PubChem CID 150273254) has the molecular formula C18H27Cl2NO and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
PubChem CID150273254
Molecular FormulaC18H27Cl2NO
Molecular Weight344.33 g/mol
Exact Mass343.15
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
SMILESCCCCCCCC(CC)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H27Cl2NO/c1-3-5-6-7-8-9-15(4-2)18(22)21-13-14-10-11-16(19)17(20)12-14/h10-12,15H,3-9,13H2,1-2H3,(H,21,22)
InChIKeyGEAAUBQNEAPYQF-UHFFFAOYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-ethylhexanamide
CID 107233438
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
1,2-dichloro-4-(2-chlorononyl)benzene
CID 55223341
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1,4-dichloro-2-methylbenzene;2-ethyl-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]heptanamide
CID 168944627
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
CID 101307436
(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
CID 90266134

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide (CID 150273254) is N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide is CCCCCCCC(CC)C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide?
The InChIKey is GEAAUBQNEAPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2NO/c1-3-5-6-7-8-9-15(4-2)18(22)21-13-14-10-11-16(19)17(20)12-14/h10-12,15H,3-9,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide?
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide has a molecular weight of 344.33 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide is sourced from PubChem (CID 150273254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).