3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide

C19H19Cl2FN2O2 — CID 86975289

IUPAC3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide
SMILESCC(C)(C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C19H19Cl2FN2O2/c1-19(2,13-4-3-5-14(22)11-13)18(26)24-9-8-23-17(25)12-6-7-15(20)16(21)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDDRAPCOFXNKLTF-UHFFFAOYSA-N
MW397.28 g/mol
LogP3.96
Rot. Bonds6

About 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide

3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide (PubChem CID 86975289) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide
PubChem CID86975289
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide
SMILESCC(C)(C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C19H19Cl2FN2O2/c1-19(2,13-4-3-5-14(22)11-13)18(26)24-9-8-23-17(25)12-6-7-15(20)16(21)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDDRAPCOFXNKLTF-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide (CID 86975289) is 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide is CC(C)(C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide?
The InChIKey is DDRAPCOFXNKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c1-19(2,13-4-3-5-14(22)11-13)18(26)24-9-8-23-17(25)12-6-7-15(20)16(21)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide?
3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide has a molecular weight of 397.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]amino]ethyl]benzamide is sourced from PubChem (CID 86975289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).