N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride

C24H27ClN2O2 — CID 52984942

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
SMILESCl.O=C(NCC(c1ccco1)N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2.ClH/c27-24(23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-18-21(22-14-9-17-28-22)26-15-7-8-16-26;/h1-6,9-14,17,21,23H,7-8,15-16,18H2,(H,25,27);1H
InChIKeyCLSWDCZRBCDZJG-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.79
Rot. Bonds7

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride (PubChem CID 52984942) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
PubChem CID52984942
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
SMILESCl.O=C(NCC(c1ccco1)N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2.ClH/c27-24(23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-18-21(22-14-9-17-28-22)26-15-7-8-16-26;/h1-6,9-14,17,21,23H,7-8,15-16,18H2,(H,25,27);1H
InChIKeyCLSWDCZRBCDZJG-UHFFFAOYSA-N
XLogP4.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
2-(diethylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 56538321
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxypropanamide
CID 81088845
(1S)-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-phenylethanol
CID 2106497
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride (CID 52984942) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride is Cl.O=C(NCC(c1ccco1)N1CCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride?
The InChIKey is CLSWDCZRBCDZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.ClH/c27-24(23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-18-21(22-14-9-17-28-22)26-15-7-8-16-26;/h1-6,9-14,17,21,23H,7-8,15-16,18H2,(H,25,27);1H.
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride is sourced from PubChem (CID 52984942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).