2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide

C15H12Cl2FNO — CID 27667437

IUPAC2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2FNO/c1-2-9-3-5-10(6-4-9)19-15(20)11-7-14(18)13(17)8-12(11)16/h3-8H,2H2,1H3,(H,19,20)
InChIKeyPPEVEEKEMXDEKO-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.95
Rot. Bonds3

About 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide

2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide (PubChem CID 27667437) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
PubChem CID27667437
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2FNO/c1-2-9-3-5-10(6-4-9)19-15(20)11-7-14(18)13(17)8-12(11)16/h3-8H,2H2,1H3,(H,19,20)
InChIKeyPPEVEEKEMXDEKO-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.95
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

2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
2-chloro-5-(3,5-dimethyl-2,6-dioxo-4-sulfanylidene-1,3,5-triazinan-1-yl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 175544014
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide (CID 27667437) is 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide is CCc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide?
The InChIKey is PPEVEEKEMXDEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-2-9-3-5-10(6-4-9)19-15(20)11-7-14(18)13(17)8-12(11)16/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide has a molecular weight of 312.17 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 27667437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).