[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

C19H17ClN2O4 — CID 8550305

IUPAC[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C19H17ClN2O4/c1-22(18(23)12-25-19(24)16-3-2-10-21-16)11-15-8-9-17(26-15)13-4-6-14(20)7-5-13/h2-10,21H,11-12H2,1H3
InChIKeyWFBVZJQPRGABKC-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.74
Rot. Bonds6

About [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8550305) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8550305
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C19H17ClN2O4/c1-22(18(23)12-25-19(24)16-3-2-10-21-16)11-15-8-9-17(26-15)13-4-6-14(20)7-5-13/h2-10,21H,11-12H2,1H3
InChIKeyWFBVZJQPRGABKC-UHFFFAOYSA-N
XLogP3.74
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 24531370
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604264
[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550605
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199644
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8921213
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31746270
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561283
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 31286269

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8550305) is [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COC(=O)c1ccc[nH]1.
What is the InChIKey of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is WFBVZJQPRGABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-22(18(23)12-25-19(24)16-3-2-10-21-16)11-15-8-9-17(26-15)13-4-6-14(20)7-5-13/h2-10,21H,11-12H2,1H3.
What are the key properties of [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8550305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).