N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C15H17F2N3O5 — CID 99710862

IUPACN-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC2(CCC2)C1
InChIInChI=1S/C15H17F2N3O5/c16-13(17)25-12-3-2-10(20(22)23)8-11(12)18-14(21)19-6-7-24-15(9-19)4-1-5-15/h2-3,8,13H,1,4-7,9H2,(H,18,21)
InChIKeyBVMIMQAORNPTJX-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 99710862) has the molecular formula C15H17F2N3O5 and a molecular weight of 357.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID99710862
Molecular FormulaC15H17F2N3O5
Molecular Weight357.31 g/mol
Exact Mass357.11
IUPAC NameN-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC2(CCC2)C1
InChIInChI=1S/C15H17F2N3O5/c16-13(17)25-12-3-2-10(20(22)23)8-11(12)18-14(21)19-6-7-24-15(9-19)4-1-5-15/h2-3,8,13H,1,4-7,9H2,(H,18,21)
InChIKeyBVMIMQAORNPTJX-UHFFFAOYSA-N
XLogP2.98
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
1-[2-(difluoromethoxy)-5-nitrophenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94156226
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86794439
(3S)-N-[2-(difluoromethoxy)-5-nitrophenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956527
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 124596231
1-[4-(4-nitrobenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 134078669
1-[[[2-(difluoromethoxy)-5-nitrophenyl]methylamino]methyl]cyclohexan-1-ol
CID 110922663
1-[2-(difluoromethoxy)-5-nitrophenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 87010347
1-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076306
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 75427281
1-[[4-chloro-2-(difluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122089952

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 99710862) is N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC2(CCC2)C1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is BVMIMQAORNPTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O5/c16-13(17)25-12-3-2-10(20(22)23)8-11(12)18-14(21)19-6-7-24-15(9-19)4-1-5-15/h2-3,8,13H,1,4-7,9H2,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 357.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-nitrophenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 99710862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).