4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

C14H21ClN2O2 — CID 55204450

IUPAC4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCCCl)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H21ClN2O2/c15-7-3-6-14(18)16-11-12(13-5-4-10-19-13)17-8-1-2-9-17/h4-5,10,12H,1-3,6-9,11H2,(H,16,18)
InChIKeyKYQYMCAXTADMRA-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.55
Rot. Bonds7

About 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 55204450) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID55204450
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCCCl)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C14H21ClN2O2/c15-7-3-6-14(18)16-11-12(13-5-4-10-19-13)17-8-1-2-9-17/h4-5,10,12H,1-3,6-9,11H2,(H,16,18)
InChIKeyKYQYMCAXTADMRA-UHFFFAOYSA-N
XLogP2.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 110302511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (CID 55204450) is 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is O=C(CCCCl)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is KYQYMCAXTADMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-7-3-6-14(18)16-11-12(13-5-4-10-19-13)17-8-1-2-9-17/h4-5,10,12H,1-3,6-9,11H2,(H,16,18).
What are the key properties of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 55204450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).