[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone

C19H22ClFN2O — CID 526493

IUPAC[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone
SMILESCCN(CC)CCNc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C19H22ClFN2O/c1-3-23(4-2)12-11-22-18-10-9-14(20)13-16(18)19(24)15-7-5-6-8-17(15)21/h5-10,13,22H,3-4,11-12H2,1-2H3
InChIKeyVOXNSVGFHTWQLC-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.46
Rot. Bonds8

About [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone

[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone (PubChem CID 526493) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone
PubChem CID526493
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone
SMILESCCN(CC)CCNc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C19H22ClFN2O/c1-3-23(4-2)12-11-22-18-10-9-14(20)13-16(18)19(24)15-7-5-6-8-17(15)21/h5-10,13,22H,3-4,11-12H2,1-2H3
InChIKeyVOXNSVGFHTWQLC-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

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CID 69912
2-Bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide
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CID 97387
2-(Methylamino)-5-chlorobenzophenone
CID 13925
6-Chloro-4-quinolinol
CID 220929
Avizafone
CID 71968
Benzophenone, 2',5-dichloro-2-methylamino-
CID 21833
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
Lorzafone
CID 54760
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775
2-({3-[(3,5-Dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-One
CID 18353708

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone (CID 526493) is [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone is CCN(CC)CCNc1ccc(Cl)cc1C(=O)c1ccccc1F.
What is the InChIKey of [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone?
The InChIKey is VOXNSVGFHTWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-3-23(4-2)12-11-22-18-10-9-14(20)13-16(18)19(24)15-7-5-6-8-17(15)21/h5-10,13,22H,3-4,11-12H2,1-2H3.
What are the key properties of [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone?
[5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone has a molecular weight of 348.85 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2-(diethylamino)ethylamino]phenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 526493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).