1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C21H26ClN3O3 — CID 24561283

IUPAC1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H26ClN3O3/c1-23(2)21(27)18-5-4-12-25(18)14-20(26)24(3)13-17-10-11-19(28-17)15-6-8-16(22)9-7-15/h6-11,18H,4-5,12-14H2,1-3H3
InChIKeyUKHKRHFIRRQEPB-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.11
Rot. Bonds6

About 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 24561283) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID24561283
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H26ClN3O3/c1-23(2)21(27)18-5-4-12-25(18)14-20(26)24(3)13-17-10-11-19(28-17)15-6-8-16(22)9-7-15/h6-11,18H,4-5,12-14H2,1-3H3
InChIKeyUKHKRHFIRRQEPB-UHFFFAOYSA-N
XLogP3.11
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18087539
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680241
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9092219
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 31286269
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
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(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550305
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220
1-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909016
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 100844132
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41023382

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 24561283) is 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is UKHKRHFIRRQEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-23(2)21(27)18-5-4-12-25(18)14-20(26)24(3)13-17-10-11-19(28-17)15-6-8-16(22)9-7-15/h6-11,18H,4-5,12-14H2,1-3H3.
What are the key properties of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).