N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide

C24H28ClFN2O — CID 22266432

IUPACN-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide
SMILESO=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C24H28ClFN2O/c25-19-10-8-17(9-11-19)16-18-12-14-28(15-13-18)23-7-3-6-22(23)27-24(29)20-4-1-2-5-21(20)26/h1-2,4-5,8-11,18,22-23H,3,6-7,12-16H2,(H,27,29)
InChIKeyHMFKUTJNGODWKO-UHFFFAOYSA-N
MW414.95 g/mol
LogP5.08
Rot. Bonds5

About N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide

N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide (PubChem CID 22266432) has the molecular formula C24H28ClFN2O and a molecular weight of 414.95 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide
PubChem CID22266432
Molecular FormulaC24H28ClFN2O
Molecular Weight414.95 g/mol
Exact Mass414.19
IUPAC NameN-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide
SMILESO=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C24H28ClFN2O/c25-19-10-8-17(9-11-19)16-18-12-14-28(15-13-18)23-7-3-6-22(23)27-24(29)20-4-1-2-5-21(20)26/h1-2,4-5,8-11,18,22-23H,3,6-7,12-16H2,(H,27,29)
InChIKeyHMFKUTJNGODWKO-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.95
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587593
4-bromo-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 22266311
3,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587601
3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide
CID 142667565
1-[(2-chlorophenyl)methyl]-3-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 22266289
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-naphthalen-1-ylurea
CID 141069770
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
CID 23587527
1-(3-bromophenyl)-3-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]urea
CID 23587574
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3-methylsulfonylphenyl)urea
CID 23587533
1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 23587523
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-[4-(2-aminoethyl)phenoxy]-2-fluorobenzamide
CID 175640732
2,3-dichloro-N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzenesulfonamide
CID 22266355

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide (CID 22266432) is N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide is O=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccccc1F.
What is the InChIKey of N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide?
The InChIKey is HMFKUTJNGODWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2O/c25-19-10-8-17(9-11-19)16-18-12-14-28(15-13-18)23-7-3-6-22(23)27-24(29)20-4-1-2-5-21(20)26/h1-2,4-5,8-11,18,22-23H,3,6-7,12-16H2,(H,27,29).
What are the key properties of N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide?
N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide has a molecular weight of 414.95 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-2-fluorobenzamide is sourced from PubChem (CID 22266432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).