5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide

C22H24Cl2FN3O — CID 118120748

IUPAC5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C22H24Cl2FN3O/c23-17-7-14(8-18(24)10-17)12-27-3-5-28(6-4-27)13-16-9-21(25)20(22(26)29)11-19(16)15-1-2-15/h7-11,15H,1-6,12-13H2,(H2,26,29)
InChIKeyHRAZNPYYSROBKX-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.43
Rot. Bonds6

About 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide

5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide (PubChem CID 118120748) has the molecular formula C22H24Cl2FN3O and a molecular weight of 436.36 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide
PubChem CID118120748
Molecular FormulaC22H24Cl2FN3O
Molecular Weight436.36 g/mol
Exact Mass435.13
IUPAC Name5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C22H24Cl2FN3O/c23-17-7-14(8-18(24)10-17)12-27-3-5-28(6-4-27)13-16-9-21(25)20(22(26)29)11-19(16)15-1-2-15/h7-11,15H,1-6,12-13H2,(H2,26,29)
InChIKeyHRAZNPYYSROBKX-UHFFFAOYSA-N
XLogP4.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
4-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide
CID 58269664
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 9440777
3,5-dichloro-N-({1-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methyl)benzamide
CID 25129498
3-[(3R,4R)-1-(3-Chloro-benzyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358904
1-[4-[2-(3-Chlorophenyl)ethyl]-3-methylbenzoyl]piperidine-4-carboxamide
CID 44571111
2-(5-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46871665
2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 46890717
2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 46890718
2-(3-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890972
2-(3-chloro-4-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890975
2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4R)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46891075

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide (CID 118120748) is 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(CN2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide?
The InChIKey is HRAZNPYYSROBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN3O/c23-17-7-14(8-18(24)10-17)12-27-3-5-28(6-4-27)13-16-9-21(25)20(22(26)29)11-19(16)15-1-2-15/h7-11,15H,1-6,12-13H2,(H2,26,29).
What are the key properties of 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide?
5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide has a molecular weight of 436.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 118120748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).