cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C19H20FNO3 — CID 124743427

IUPACcis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C19H20FNO3/c20-13-7-5-12(6-8-13)18(17-4-2-10-24-17)21-19(22)15-11-14(15)16-3-1-9-23-16/h1,3,5-9,14-15,17-18H,2,4,10-11H2,(H,21,22)/t14-,15+,17+,18-/m1/s1
InChIKeyYUDDPXQIYMTIKQ-MXSMSXNCSA-N
MW329.37 g/mol
LogP3.56
Rot. Bonds5

About cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 124743427) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID124743427
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namecis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C19H20FNO3/c20-13-7-5-12(6-8-13)18(17-4-2-10-24-17)21-19(22)15-11-14(15)16-3-1-9-23-16/h1,3,5-9,14-15,17-18H,2,4,10-11H2,(H,21,22)/t14-,15+,17+,18-/m1/s1
InChIKeyYUDDPXQIYMTIKQ-MXSMSXNCSA-N
XLogP3.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 94666581
1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544137
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide
CID 124739346
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 124743427) is cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccco1.
What is the InChIKey of cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is YUDDPXQIYMTIKQ-MXSMSXNCSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-13-7-5-12(6-8-13)18(17-4-2-10-24-17)21-19(22)15-11-14(15)16-3-1-9-23-16/h1,3,5-9,14-15,17-18H,2,4,10-11H2,(H,21,22)/t14-,15+,17+,18-/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124743427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).