N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide

C22H21Cl2FN2O2 — CID 86885736

IUPACN-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F
InChIInChI=1S/C22H21Cl2FN2O2/c23-18-6-5-13(11-19(18)24)16-12-17(16)22(29)27-9-7-14(8-10-27)26-21(28)15-3-1-2-4-20(15)25/h1-6,11,14,16-17H,7-10,12H2,(H,26,28)
InChIKeyXSLXGMNGSVNXDL-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.66
Rot. Bonds4

About N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide

N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide (PubChem CID 86885736) has the molecular formula C22H21Cl2FN2O2 and a molecular weight of 435.33 g/mol. Its IUPAC name is N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide
PubChem CID86885736
Molecular FormulaC22H21Cl2FN2O2
Molecular Weight435.33 g/mol
Exact Mass434.10
IUPAC NameN-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F
InChIInChI=1S/C22H21Cl2FN2O2/c23-18-6-5-13(11-19(18)24)16-12-17(16)22(29)27-9-7-14(8-10-27)26-21(28)15-3-1-2-4-20(15)25/h1-6,11,14,16-17H,7-10,12H2,(H,26,28)
InChIKeyXSLXGMNGSVNXDL-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 97012183
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120747860
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide (CID 86885736) is N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide is O=C(NC1CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F.
What is the InChIKey of N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is XSLXGMNGSVNXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN2O2/c23-18-6-5-13(11-19(18)24)16-12-17(16)22(29)27-9-7-14(8-10-27)26-21(28)15-3-1-2-4-20(15)25/h1-6,11,14,16-17H,7-10,12H2,(H,26,28).
What are the key properties of N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide?
N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 435.33 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 86885736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).