N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide

C22H27ClN2O2 — CID 35043648

IUPACN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-16(2)27-18-11-9-17(10-12-18)22(26)24-15-21(25-13-5-6-14-25)19-7-3-4-8-20(19)23/h3-4,7-12,16,21H,5-6,13-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyQZFYQXFPMXDGGJ-NRFANRHFSA-N
MW386.92 g/mol
LogP4.69
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide (PubChem CID 35043648) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
PubChem CID35043648
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-16(2)27-18-11-9-17(10-12-18)22(26)24-15-21(25-13-5-6-14-25)19-7-3-4-8-20(19)23/h3-4,7-12,16,21H,5-6,13-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyQZFYQXFPMXDGGJ-NRFANRHFSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
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N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 42217496
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079
N-[(2S)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487454
N-[(2R)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487459
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide (CID 35043648) is N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide?
The InChIKey is QZFYQXFPMXDGGJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16(2)27-18-11-9-17(10-12-18)22(26)24-15-21(25-13-5-6-14-25)19-7-3-4-8-20(19)23/h3-4,7-12,16,21H,5-6,13-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide?
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide has a molecular weight of 386.92 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 35043648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).