cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

C18H16FNO3 — CID 96564617

IUPACcis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16FNO3/c19-12-2-4-13(5-3-12)20-18(21)15-10-14(15)11-1-6-16-17(9-11)23-8-7-22-16/h1-6,9,14-15H,7-8,10H2,(H,20,21)/t14-,15-/m1/s1
InChIKeyAJGBCQPEMPUBKP-HUUCEWRRSA-N
MW313.33 g/mol
LogP3.34
Rot. Bonds3

About cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 96564617) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID96564617
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namecis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16FNO3/c19-12-2-4-13(5-3-12)20-18(21)15-10-14(15)11-1-6-16-17(9-11)23-8-7-22-16/h1-6,9,14-15H,7-8,10H2,(H,20,21)/t14-,15-/m1/s1
InChIKeyAJGBCQPEMPUBKP-HUUCEWRRSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564771
cis-(1R,2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564776
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
N-(3-amino-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119420322
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136136
N-(2-aminophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 119422715
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 119618941
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51292045

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 96564617) is cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2.
What is the InChIKey of cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is AJGBCQPEMPUBKP-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-12-2-4-13(5-3-12)20-18(21)15-10-14(15)11-1-6-16-17(9-11)23-8-7-22-16/h1-6,9,14-15H,7-8,10H2,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96564617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).