cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide

C18H23FN2O3 — CID 126798249

IUPACcis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C18H23FN2O3/c1-21(2)17(23)15-11-14(15)16(22)20-18(7-9-24-10-8-18)12-3-5-13(19)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyHCFFYJPNSUXMTB-LSDHHAIUSA-N
MW334.39 g/mol
LogP1.67
Rot. Bonds4

About cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide (PubChem CID 126798249) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
PubChem CID126798249
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Namecis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C18H23FN2O3/c1-21(2)17(23)15-11-14(15)16(22)20-18(7-9-24-10-8-18)12-3-5-13(19)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyHCFFYJPNSUXMTB-LSDHHAIUSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129402235
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
CID 129434086
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
N-[1-(4-fluorophenyl)cyclopropyl]adamantane-2-carboxamide
CID 110445495
4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide
CID 95353416
1-(2-chlorophenyl)-N-[4-(4-fluorophenyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 86897729
trans-(1R,2R)-2-[[1-(4-bromophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131484
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide
CID 86899076

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide (CID 126798249) is cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide is CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The InChIKey is HCFFYJPNSUXMTB-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-21(2)17(23)15-11-14(15)16(22)20-18(7-9-24-10-8-18)12-3-5-13(19)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide has a molecular weight of 334.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 126798249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).