cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C18H16F2N2O3 — CID 97053616

IUPACcis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C18H16F2N2O3/c19-12-3-1-4-13(20)16(12)22-7-6-14(18(22)24)21-17(23)11-9-10(11)15-5-2-8-25-15/h1-5,8,10-11,14H,6-7,9H2,(H,21,23)/t10-,11+,14+/m0/s1
InChIKeyRDFFHWMEBDKSNI-MISXGVKJSA-N
MW346.33 g/mol
LogP2.58
Rot. Bonds4

About cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 97053616) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID97053616
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Namecis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C18H16F2N2O3/c19-12-3-1-4-13(20)16(12)22-7-6-14(18(22)24)21-17(23)11-9-10(11)15-5-2-8-25-15/h1-5,8,10-11,14H,6-7,9H2,(H,21,23)/t10-,11+,14+/m0/s1
InChIKeyRDFFHWMEBDKSNI-MISXGVKJSA-N
XLogP2.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 97053616) is cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1C[C@@H]1c1ccco1.
What is the InChIKey of cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RDFFHWMEBDKSNI-MISXGVKJSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-12-3-1-4-13(20)16(12)22-7-6-14(18(22)24)21-17(23)11-9-10(11)15-5-2-8-25-15/h1-5,8,10-11,14H,6-7,9H2,(H,21,23)/t10-,11+,14+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97053616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).