N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide

C23H37F2NO — CID 91717598

IUPACN,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H37F2NO/c1-5-9-11-18(7-3)16-26(17-19(8-4)12-10-6-2)23(27)21-14-13-20(24)15-22(21)25/h13-15,18-19H,5-12,16-17H2,1-4H3
InChIKeyDCATWGDKIKSJCY-UHFFFAOYSA-N
MW381.55 g/mol
LogP6.84
Rot. Bonds13

About N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide

N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide (PubChem CID 91717598) has the molecular formula C23H37F2NO and a molecular weight of 381.55 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
PubChem CID91717598
Molecular FormulaC23H37F2NO
Molecular Weight381.55 g/mol
Exact Mass381.28
IUPAC NameN,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H37F2NO/c1-5-9-11-18(7-3)16-26(17-19(8-4)12-10-6-2)23(27)21-14-13-20(24)15-22(21)25/h13-15,18-19H,5-12,16-17H2,1-4H3
InChIKeyDCATWGDKIKSJCY-UHFFFAOYSA-N
XLogP6.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
1-(2,4-difluorophenyl)-4-ethyloctan-2-one
CID 64558686
3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide
CID 166025778
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846
dodecan-5-yl 2,4-difluorobenzoate
CID 91717410
tetradecan-5-yl 2,4-difluorobenzoate
CID 91717500
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N,N-bis(2-ethylhexyl)-2-nitrobenzamide;methane
CID 157108849

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide (CID 91717598) is N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide?
The InChIKey is DCATWGDKIKSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F2NO/c1-5-9-11-18(7-3)16-26(17-19(8-4)12-10-6-2)23(27)21-14-13-20(24)15-22(21)25/h13-15,18-19H,5-12,16-17H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide?
N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide has a molecular weight of 381.55 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide is sourced from PubChem (CID 91717598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).