(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol

C23H32ClN3O4 — CID 143615109

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(C)o1.CO
InChIInChI=1S/C22H28ClN3O3.CH4O/c1-4-18(20-12-7-15(2)29-20)24-22(28)26-13-5-6-19(26)21(27)25(3)14-16-8-10-17(23)11-9-16;1-2/h7-12,18-19H,4-6,13-14H2,1-3H3,(H,24,28);2H,1H3/t18-,19-;/m1./s1
InChIKeyAEPXVTWLIIRYOS-STYNFMPRSA-N
MW449.98 g/mol
LogP4.13
Rot. Bonds6

About (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol (PubChem CID 143615109) has the molecular formula C23H32ClN3O4 and a molecular weight of 449.98 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol
PubChem CID143615109
Molecular FormulaC23H32ClN3O4
Molecular Weight449.98 g/mol
Exact Mass449.21
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(C)o1.CO
InChIInChI=1S/C22H28ClN3O3.CH4O/c1-4-18(20-12-7-15(2)29-20)24-22(28)26-13-5-6-19(26)21(27)25(3)14-16-8-10-17(23)11-9-16;1-2/h7-12,18-19H,4-6,13-14H2,1-3H3,(H,24,28);2H,1H3/t18-,19-;/m1./s1
InChIKeyAEPXVTWLIIRYOS-STYNFMPRSA-N
XLogP4.13
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrrolidine-1,2-dicarboxamide
CID 71131547
1-N-(4-chloro-2,6-dimethylphenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71131532
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 143615138
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(3-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 143615289
(2R)-1-N-(6-chloro-2-methyl-3-pyridinyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 89303525
2-N-[(4-chlorophenyl)methyl]-1-N-(8-fluoro-3,4-dihydro-1H-isochromen-4-yl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615170
(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 71134588
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615079
1-N-[(1-acetyl-3,4-dihydro-2H-quinolin-2-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615196
(2R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922929
[(3Z,6E)-6-chloroocta-3,6-dien-2-yl] 2-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-1-carboxylate
CID 143615187
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
CID 25233758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol (CID 143615109) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol is CC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1)c1ccc(C)o1.CO.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol?
The InChIKey is AEPXVTWLIIRYOS-STYNFMPRSA-N. The full InChI is InChI=1S/C22H28ClN3O3.CH4O/c1-4-18(20-12-7-15(2)29-20)24-22(28)26-13-5-6-19(26)21(27)25(3)14-16-8-10-17(23)11-9-16;1-2/h7-12,18-19H,4-6,13-14H2,1-3H3,(H,24,28);2H,1H3/t18-,19-;/m1./s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol has a molecular weight of 449.98 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-(5-methylfuran-2-yl)propyl]pyrrolidine-1,2-dicarboxamide;methanol is sourced from PubChem (CID 143615109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).