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

C18H26ClF2NO — CID 91233832

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide
SMILESCCCCCCCCCC(Cl)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C18H26ClF2NO/c1-2-3-4-5-6-7-8-9-16(19)18(23)22-13-14-10-11-15(20)12-17(14)21/h10-12,16H,2-9,13H2,1H3,(H,22,23)
InChIKeyGBRCNRSNZQNLDK-UHFFFAOYSA-N
MW345.86 g/mol
LogP5.33
Rot. Bonds11

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

2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide (PubChem CID 91233832) has the molecular formula C18H26ClF2NO and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide
PubChem CID91233832
Molecular FormulaC18H26ClF2NO
Molecular Weight345.86 g/mol
Exact Mass345.17
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide
SMILESCCCCCCCCCC(Cl)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C18H26ClF2NO/c1-2-3-4-5-6-7-8-9-16(19)18(23)22-13-14-10-11-15(20)12-17(14)21/h10-12,16H,2-9,13H2,1H3,(H,22,23)
InChIKeyGBRCNRSNZQNLDK-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.86
LogP ≤ 55.33
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]decanamide
CID 91576928
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)nonan-2-ol
CID 63902016
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
(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]undecanamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide (CID 91233832) is 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide is CCCCCCCCCC(Cl)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide?
The InChIKey is GBRCNRSNZQNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClF2NO/c1-2-3-4-5-6-7-8-9-16(19)18(23)22-13-14-10-11-15(20)12-17(14)21/h10-12,16H,2-9,13H2,1H3,(H,22,23).
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide?
2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide has a molecular weight of 345.86 g/mol, XLogP of 5.33, 11 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]undecanamide is sourced from PubChem (CID 91233832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).