N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide

C20H23FN2O3 — CID 167775907

IUPACN-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(NC1CC2CN(C(=O)c3ccc4c(c3)OCC4)CC2C1)C1CC1F
InChIInChI=1S/C20H23FN2O3/c21-17-8-16(17)19(24)22-15-5-13-9-23(10-14(13)6-15)20(25)12-2-1-11-3-4-26-18(11)7-12/h1-2,7,13-17H,3-6,8-10H2,(H,22,24)
InChIKeyPYGKSZCYELBZFW-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.95
Rot. Bonds3

About N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 167775907) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID167775907
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(NC1CC2CN(C(=O)c3ccc4c(c3)OCC4)CC2C1)C1CC1F
InChIInChI=1S/C20H23FN2O3/c21-17-8-16(17)19(24)22-15-5-13-9-23(10-14(13)6-15)20(25)12-2-1-11-3-4-26-18(11)7-12/h1-2,7,13-17H,3-6,8-10H2,(H,22,24)
InChIKeyPYGKSZCYELBZFW-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

3-benzyl-N-cyclohexyl-3-methyl-2H-1-benzofuran-6-carboxamide
CID 42644567
3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
CID 131636035
2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-6-carboxamide
CID 14838270
4-(2,3-dihydro-1-benzofuran-6-yl)-N-[(3S*,4S*)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 124215643
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide
CID 164635844
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(4-oxo-4-pyrrolidin-1-ylbutoxy)phenyl]-5-fluoro-4-methylbenzamide
CID 11387104
N-[[(3S,4S)-4-[[cyclopropyl-(2-phenylacetyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-ethyl-N-propan-2-yl-3-[3-(trifluoromethoxy)propoxy]benzamide
CID 59512400
N-[[(3S,4S)-4-[[cyclopropyl-(2-phenylacetyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59512443
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-cyclopentyloxy-4-fluorobenzamide
CID 66776108
N-[[4-[[cyclopropyl-(2-phenylacetyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 68615914
N-[[(3S,4S)-4-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 68615916
N-[[(3S,4S)-4-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-ethyl-N-propan-2-yl-3-[3-(trifluoromethoxy)propoxy]benzamide
CID 68617084

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide (CID 167775907) is N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide is O=C(NC1CC2CN(C(=O)c3ccc4c(c3)OCC4)CC2C1)C1CC1F.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PYGKSZCYELBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-17-8-16(17)19(24)22-15-5-13-9-23(10-14(13)6-15)20(25)12-2-1-11-3-4-26-18(11)7-12/h1-2,7,13-17H,3-6,8-10H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167775907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).