N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide

C18H15F4NO2 — CID 91717088

IUPACN-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1F)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H15F4NO2/c1-2-3-8-23(17(24)13-6-4-11(19)9-15(13)21)18(25)14-7-5-12(20)10-16(14)22/h4-7,9-10H,2-3,8H2,1H3
InChIKeyCVWKEHUNKYAXBF-UHFFFAOYSA-N
MW353.31 g/mol
LogP4.33
Rot. Bonds5

About N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide

N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide (PubChem CID 91717088) has the molecular formula C18H15F4NO2 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
PubChem CID91717088
Molecular FormulaC18H15F4NO2
Molecular Weight353.31 g/mol
Exact Mass353.10
IUPAC NameN-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1F)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H15F4NO2/c1-2-3-8-23(17(24)13-6-4-11(19)9-15(13)21)18(25)14-7-5-12(20)10-16(14)22/h4-7,9-10H,2-3,8H2,1H3
InChIKeyCVWKEHUNKYAXBF-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Amylase
CID 71475145
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dimethylbenzamide
CID 11916
N-Benzoylbenzylamine
CID 73878
N,N-Dibenzylbenzamide
CID 101312
N,N-Diethyl-p-toluamide
CID 75946
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide?
The IUPAC name of N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide (CID 91717088) is N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide?
The canonical SMILES for N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide is CCCCN(C(=O)c1ccc(F)cc1F)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide?
The InChIKey is CVWKEHUNKYAXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c1-2-3-8-23(17(24)13-6-4-11(19)9-15(13)21)18(25)14-7-5-12(20)10-16(14)22/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide?
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide has a molecular weight of 353.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide is sourced from PubChem (CID 91717088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).