3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide

C23H23Cl2FN2O2 — CID 162499052

IUPAC3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide
SMILESCC1(NC(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C2(NC(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H23Cl2FN2O2/c1-21(23(9-10-23)28-19(29)14-3-6-16(26)7-4-14)12-22(2,13-21)27-20(30)15-5-8-17(24)18(25)11-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUEPKVRZFGAGVDI-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.38
Rot. Bonds5

About 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide

3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide (PubChem CID 162499052) has the molecular formula C23H23Cl2FN2O2 and a molecular weight of 449.35 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide
PubChem CID162499052
Molecular FormulaC23H23Cl2FN2O2
Molecular Weight449.35 g/mol
Exact Mass448.11
IUPAC Name3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide
SMILESCC1(NC(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C2(NC(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H23Cl2FN2O2/c1-21(23(9-10-23)28-19(29)14-3-6-16(26)7-4-14)12-22(2,13-21)27-20(30)15-5-8-17(24)18(25)11-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyUEPKVRZFGAGVDI-UHFFFAOYSA-N
XLogP5.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696153
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide
CID 135187431
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 18834754
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3-chloro-N-(1-methylcyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731238

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide (CID 162499052) is 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide is CC1(NC(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C2(NC(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide?
The InChIKey is UEPKVRZFGAGVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O2/c1-21(23(9-10-23)28-19(29)14-3-6-16(26)7-4-14)12-22(2,13-21)27-20(30)15-5-8-17(24)18(25)11-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide?
3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide has a molecular weight of 449.35 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,3-dimethylcyclobutyl]benzamide is sourced from PubChem (CID 162499052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).