4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide

C13H15F3N2O3 — CID 66250237

IUPAC4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)COCC1N
InChIInChI=1S/C13H15F3N2O3/c1-13(6-20-5-10(13)17)11(19)18-7-2-3-9(8(14)4-7)21-12(15)16/h2-4,10,12H,5-6,17H2,1H3,(H,18,19)
InChIKeyARCKAPNRAIEWPX-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide

4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide (PubChem CID 66250237) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide
PubChem CID66250237
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)COCC1N
InChIInChI=1S/C13H15F3N2O3/c1-13(6-20-5-10(13)17)11(19)18-7-2-3-9(8(14)4-7)21-12(15)16/h2-4,10,12H,5-6,17H2,1H3,(H,18,19)
InChIKeyARCKAPNRAIEWPX-UHFFFAOYSA-N
XLogP1.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide (CID 66250237) is 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide is CC1(C(=O)Nc2ccc(OC(F)F)c(F)c2)COCC1N.
What is the InChIKey of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is ARCKAPNRAIEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-13(6-20-5-10(13)17)11(19)18-7-2-3-9(8(14)4-7)21-12(15)16/h2-4,10,12H,5-6,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).