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

C17H23ClN2O2 — CID 112506807

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)C1CCCO1
InChIInChI=1S/C17H23ClN2O2/c18-14-6-3-5-13(11-14)15(20-8-1-2-9-20)12-19-17(21)16-7-4-10-22-16/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H,19,21)
InChIKeySLZHGVMSGQHDDN-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.77
Rot. Bonds5

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

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide (PubChem CID 112506807) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
PubChem CID112506807
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)C1CCCO1
InChIInChI=1S/C17H23ClN2O2/c18-14-6-3-5-13(11-14)15(20-8-1-2-9-20)12-19-17(21)16-7-4-10-22-16/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H,19,21)
InChIKeySLZHGVMSGQHDDN-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506848
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112503792
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
(1R,2S,4R)-N-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129425788
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 112504693
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852828
3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119875146
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 60553549
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119849478

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide (CID 112506807) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide is O=C(NCC(c1cccc(Cl)c1)N1CCCC1)C1CCCO1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
The InChIKey is SLZHGVMSGQHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-6-3-5-13(11-14)15(20-8-1-2-9-20)12-19-17(21)16-7-4-10-22-16/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112506807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).