2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide

C17H16ClF2NO — CID 1252541

IUPAC2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H16ClF2NO/c1-3-10-6-5-7-11(4-2)16(10)21-17(22)12-8-14(19)15(20)9-13(12)18/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyCIQICMMZJYTJAE-UHFFFAOYSA-N
MW323.77 g/mol
LogP5.00
Rot. Bonds4

About 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide

2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide (PubChem CID 1252541) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
PubChem CID1252541
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H16ClF2NO/c1-3-10-6-5-7-11(4-2)16(10)21-17(22)12-8-14(19)15(20)9-13(12)18/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyCIQICMMZJYTJAE-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
4-chloro-N-(2,6-diethylphenyl)-2-nitrobenzamide
CID 3319431
2-amino-N-(2,6-diethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384043
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110909050
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide (CID 1252541) is 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide is CCc1cccc(CC)c1NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide?
The InChIKey is CIQICMMZJYTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c1-3-10-6-5-7-11(4-2)16(10)21-17(22)12-8-14(19)15(20)9-13(12)18/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide?
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide has a molecular weight of 323.77 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 1252541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).