1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide

C18H20N2O2 — CID 94840101

IUPAC1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COc3ccccc32)c(C)n1C1CC1
InChIInChI=1S/C18H20N2O2/c1-11-9-15(12(2)20(11)13-7-8-13)18(21)19-16-10-22-17-6-4-3-5-14(16)17/h3-6,9,13,16H,7-8,10H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeySWBFHXXXVBUICS-MRXNPFEDSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds3

About 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 94840101) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID94840101
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COc3ccccc32)c(C)n1C1CC1
InChIInChI=1S/C18H20N2O2/c1-11-9-15(12(2)20(11)13-7-8-13)18(21)19-16-10-22-17-6-4-3-5-14(16)17/h3-6,9,13,16H,7-8,10H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeySWBFHXXXVBUICS-MRXNPFEDSA-N
XLogP3.30
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 97003353
1-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 119041646
1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 124621007
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 25492312
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030521
1-cyclopropyl-N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 71900851
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide (CID 94840101) is 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2COc3ccccc32)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is SWBFHXXXVBUICS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-9-15(12(2)20(11)13-7-8-13)18(21)19-16-10-22-17-6-4-3-5-14(16)17/h3-6,9,13,16H,7-8,10H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 94840101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).