2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide

C19H21Cl2FN2O — CID 42919391

IUPAC2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
SMILESCCc1ccc(C(CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1
InChIInChI=1S/C19H21Cl2FN2O/c1-4-12-5-7-13(8-6-12)18(24(2)3)11-23-19(25)14-9-17(22)16(21)10-15(14)20/h5-10,18H,4,11H2,1-3H3,(H,23,25)
InChIKeyYRKANCQSWZBDFF-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.73
Rot. Bonds6

About 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide

2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide (PubChem CID 42919391) has the molecular formula C19H21Cl2FN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
PubChem CID42919391
Molecular FormulaC19H21Cl2FN2O
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC Name2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
SMILESCCc1ccc(C(CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1
InChIInChI=1S/C19H21Cl2FN2O/c1-4-12-5-7-13(8-6-12)18(24(2)3)11-23-19(25)14-9-17(22)16(21)10-15(14)20/h5-10,18H,4,11H2,1-3H3,(H,23,25)
InChIKeyYRKANCQSWZBDFF-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
CID 55370135
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 43047884
2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide
CID 26953077
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide (CID 42919391) is 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide is CCc1ccc(C(CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide?
The InChIKey is YRKANCQSWZBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O/c1-4-12-5-7-13(8-6-12)18(24(2)3)11-23-19(25)14-9-17(22)16(21)10-15(14)20/h5-10,18H,4,11H2,1-3H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide?
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide has a molecular weight of 383.29 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 42919391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).