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

C17H19ClN2O2 — CID 4877480

IUPAC4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-7-5-13(6-8-14)17(21)19-12-15(16-4-3-11-22-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H,19,21)
InChIKeyFLPJUKGLWMPBAD-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.50
Rot. Bonds5

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

4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 4877480) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID4877480
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-7-5-13(6-8-14)17(21)19-12-15(16-4-3-11-22-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H,19,21)
InChIKeyFLPJUKGLWMPBAD-UHFFFAOYSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809868
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 4877480) is 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is FLPJUKGLWMPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-7-5-13(6-8-14)17(21)19-12-15(16-4-3-11-22-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H,19,21).
What are the key properties of 4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 318.80 g/mol, XLogP of 3.50, 5 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]benzamide is sourced from PubChem (CID 4877480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).