2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide

C17H24ClF2NO — CID 91576928

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide
SMILESCCCCCCCCC(Cl)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C17H24ClF2NO/c1-2-3-4-5-6-7-8-15(18)17(22)21-12-13-9-10-14(19)11-16(13)20/h9-11,15H,2-8,12H2,1H3,(H,21,22)
InChIKeyNAHQSXUJJYOPSG-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.94
Rot. Bonds10

About 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide

2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide (PubChem CID 91576928) has the molecular formula C17H24ClF2NO and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide
PubChem CID91576928
Molecular FormulaC17H24ClF2NO
Molecular Weight331.83 g/mol
Exact Mass331.15
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide
SMILESCCCCCCCCC(Cl)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C17H24ClF2NO/c1-2-3-4-5-6-7-8-15(18)17(22)21-12-13-9-10-14(19)11-16(13)20/h9-11,15H,2-8,12H2,1H3,(H,21,22)
InChIKeyNAHQSXUJJYOPSG-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide
CID 91233832
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
CID 57218649
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
CID 62228150
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide (CID 91576928) is 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide is CCCCCCCCC(Cl)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide?
The InChIKey is NAHQSXUJJYOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClF2NO/c1-2-3-4-5-6-7-8-15(18)17(22)21-12-13-9-10-14(19)11-16(13)20/h9-11,15H,2-8,12H2,1H3,(H,21,22).
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide?
2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide has a molecular weight of 331.83 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide is sourced from PubChem (CID 91576928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).