5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide

C18H21ClN2O3 — CID 70786517

IUPAC5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H21ClN2O3/c1-3-23-17-11-21(2)10-14(17)20-18(22)16-9-8-15(24-16)12-6-4-5-7-13(12)19/h4-9,14,17H,3,10-11H2,1-2H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyOVDJPAOJDFATAH-YOEHRIQHSA-N
MW348.83 g/mol
LogP3.05
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 70786517) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
PubChem CID70786517
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H21ClN2O3/c1-3-23-17-11-21(2)10-14(17)20-18(22)16-9-8-15(24-16)12-6-4-5-7-13(12)19/h4-9,14,17H,3,10-11H2,1-2H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyOVDJPAOJDFATAH-YOEHRIQHSA-N
XLogP3.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 91783951
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
3,5-dichloro-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-4-methylbenzamide
CID 72926011
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide
CID 154819962
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 16560702
5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075065
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 133268518
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 133266039
5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
CID 70717961

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide (CID 70786517) is 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide is CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is OVDJPAOJDFATAH-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-3-23-17-11-21(2)10-14(17)20-18(22)16-9-8-15(24-16)12-6-4-5-7-13(12)19/h4-9,14,17H,3,10-11H2,1-2H3,(H,20,22)/t14-,17-/m0/s1.
What are the key properties of 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 70786517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).