5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide

C22H23Cl2FN2O2 — CID 122485924

IUPAC5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(C2CC2)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C22H23Cl2FN2O2/c1-26-22(28)17-11-16(13-2-3-13)21(12-20(17)25)29-15-6-8-27(9-7-15)14-4-5-18(23)19(24)10-14/h4-5,10-13,15H,2-3,6-9H2,1H3,(H,26,28)
InChIKeyITPGZNIRLXGVCZ-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.42
Rot. Bonds5

About 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide

5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide (PubChem CID 122485924) has the molecular formula C22H23Cl2FN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide
PubChem CID122485924
Molecular FormulaC22H23Cl2FN2O2
Molecular Weight437.34 g/mol
Exact Mass436.11
IUPAC Name5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(C2CC2)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C22H23Cl2FN2O2/c1-26-22(28)17-11-16(13-2-3-13)21(12-20(17)25)29-15-6-8-27(9-7-15)14-4-5-18(23)19(24)10-14/h4-5,10-13,15H,2-3,6-9H2,1H3,(H,26,28)
InChIKeyITPGZNIRLXGVCZ-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-4-[1-[3-chloro-4-(difluoromethoxy)phenyl]piperidin-4-yl]oxy-2-fluorophenyl]ethanone
CID 145132104
5-cyclopropyl-4-[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110875
5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
CID 145132178
5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid
CID 122485893
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-2-fluorobenzamide
CID 137432454
5-cyclopropyl-4-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzoic acid
CID 118111029
4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate
CID 158871205
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
4-[[(2R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidin-2-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 122485862
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide
CID 118353802
5-cyclopropyl-N-cyclopropylsulfanyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzamide
CID 144849875
5-cyclopropyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110681

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide (CID 122485924) is 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(C2CC2)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide?
The InChIKey is ITPGZNIRLXGVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN2O2/c1-26-22(28)17-11-16(13-2-3-13)21(12-20(17)25)29-15-6-8-27(9-7-15)14-4-5-18(23)19(24)10-14/h4-5,10-13,15H,2-3,6-9H2,1H3,(H,26,28).
What are the key properties of 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide?
5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 122485924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).