N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide

C20H22ClFN2O — CID 35043367

IUPACN-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O/c21-18-7-3-2-6-17(18)19(24-12-4-1-5-13-24)14-23-20(25)15-8-10-16(22)11-9-15/h2-3,6-11,19H,1,4-5,12-14H2,(H,23,25)/t19-/m0/s1
InChIKeyMTZCZBPNDFHPDA-IBGZPJMESA-N
MW360.86 g/mol
LogP4.44
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide

N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide (PubChem CID 35043367) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
PubChem CID35043367
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O/c21-18-7-3-2-6-17(18)19(24-12-4-1-5-13-24)14-23-20(25)15-8-10-16(22)11-9-15/h2-3,6-11,19H,1,4-5,12-14H2,(H,23,25)/t19-/m0/s1
InChIKeyMTZCZBPNDFHPDA-IBGZPJMESA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 45351971
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
CID 26795013
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide (CID 35043367) is N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide is O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide?
The InChIKey is MTZCZBPNDFHPDA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22ClFN2O/c21-18-7-3-2-6-17(18)19(24-12-4-1-5-13-24)14-23-20(25)15-8-10-16(22)11-9-15/h2-3,6-11,19H,1,4-5,12-14H2,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide?
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide has a molecular weight of 360.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide is sourced from PubChem (CID 35043367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).