3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide

C13H16F2N2O3 — CID 64892174

IUPAC3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(OC(F)F)cc2)CCOC1
InChIInChI=1S/C13H16F2N2O3/c14-12(15)20-10-3-1-9(2-4-10)7-17-11(18)13(16)5-6-19-8-13/h1-4,12H,5-8,16H2,(H,17,18)
InChIKeySSWCTDOPRWHFMV-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.02
Rot. Bonds5

About 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide

3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 64892174) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
PubChem CID64892174
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(OC(F)F)cc2)CCOC1
InChIInChI=1S/C13H16F2N2O3/c14-12(15)20-10-3-1-9(2-4-10)7-17-11(18)13(16)5-6-19-8-13/h1-4,12H,5-8,16H2,(H,17,18)
InChIKeySSWCTDOPRWHFMV-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide
CID 67534870
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 64891810
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
(3S)-3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 66617106
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-carboxamide
CID 64891597
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134061161

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide (CID 64892174) is 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide is NC1(C(=O)NCc2ccc(OC(F)F)cc2)CCOC1.
What is the InChIKey of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is SSWCTDOPRWHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-12(15)20-10-3-1-9(2-4-10)7-17-11(18)13(16)5-6-19-8-13/h1-4,12H,5-8,16H2,(H,17,18).
What are the key properties of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).