N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide

C15H21ClN2O2 — CID 75445488

IUPACN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-20-10-8-15(19)17-13-7-9-18(11-13)14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyRYJCVIAPHPETFG-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide

N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide (PubChem CID 75445488) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide
PubChem CID75445488
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-20-10-8-15(19)17-13-7-9-18(11-13)14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyRYJCVIAPHPETFG-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoylamino]butanoic acid
CID 122009161
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
2-[[[[1-(4-chlorophenyl)pyrrolidin-3-yl]amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110049692
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-2-propan-2-ylsulfonylacetamide
CID 131961110
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide (CID 75445488) is N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide is CCOCCC(=O)NC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide?
The InChIKey is RYJCVIAPHPETFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-20-10-8-15(19)17-13-7-9-18(11-13)14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19).
What are the key properties of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide?
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide is sourced from PubChem (CID 75445488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).