2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide

C23H27ClN2O2 — CID 55522276

IUPAC2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2CC2c2ccccc2Cl)N2CCCC2)c1
InChIInChI=1S/C23H27ClN2O2/c1-28-17-8-6-7-16(13-17)22(26-11-4-5-12-26)15-25-23(27)20-14-19(20)18-9-2-3-10-21(18)24/h2-3,6-10,13,19-20,22H,4-5,11-12,14-15H2,1H3,(H,25,27)
InChIKeyQBOLREKSEDJGGK-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.41
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (PubChem CID 55522276) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
PubChem CID55522276
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(C(CNC(=O)C2CC2c2ccccc2Cl)N2CCCC2)c1
InChIInChI=1S/C23H27ClN2O2/c1-28-17-8-6-7-16(13-17)22(26-11-4-5-12-26)15-25-23(27)20-14-19(20)18-9-2-3-10-21(18)24/h2-3,6-10,13,19-20,22H,4-5,11-12,14-15H2,1H3,(H,25,27)
InChIKeyQBOLREKSEDJGGK-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 129424865
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide
CID 55900321
(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 124688095
2-(2-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 111115585
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852828
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (CID 55522276) is 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is COc1cccc(C(CNC(=O)C2CC2c2ccccc2Cl)N2CCCC2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is QBOLREKSEDJGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-28-17-8-6-7-16(13-17)22(26-11-4-5-12-26)15-25-23(27)20-14-19(20)18-9-2-3-10-21(18)24/h2-3,6-10,13,19-20,22H,4-5,11-12,14-15H2,1H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55522276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).