N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide

C18H21ClN2O2 — CID 94809660

IUPACN-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClN2O2/c19-15-3-5-16(6-4-15)21-10-9-14(13-21)12-20-18(22)8-7-17-2-1-11-23-17/h1-6,11,14H,7-10,12-13H2,(H,20,22)/t14-/m1/s1
InChIKeyGYJIBTHZLLVUES-CQSZACIVSA-N
MW332.83 g/mol
LogP3.51
Rot. Bonds6

About N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide

N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide (PubChem CID 94809660) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
PubChem CID94809660
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClN2O2/c19-15-3-5-16(6-4-15)21-10-9-14(13-21)12-20-18(22)8-7-17-2-1-11-23-17/h1-6,11,14H,7-10,12-13H2,(H,20,22)/t14-/m1/s1
InChIKeyGYJIBTHZLLVUES-CQSZACIVSA-N
XLogP3.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide 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

1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 83468968
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94812810
2-(4-chlorophenoxy)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 166192634

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide (CID 94809660) is N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide?
The InChIKey is GYJIBTHZLLVUES-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-15-3-5-16(6-4-15)21-10-9-14(13-21)12-20-18(22)8-7-17-2-1-11-23-17/h1-6,11,14H,7-10,12-13H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide?
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 94809660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).