N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

C18H23F2N3O2 — CID 70764179

IUPACN-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CC2(CCC1=O)CCN(C(=O)Nc1cc(F)ccc1F)CC2
InChIInChI=1S/C18H23F2N3O2/c1-2-22-12-18(6-5-16(22)24)7-9-23(10-8-18)17(25)21-15-11-13(19)3-4-14(15)20/h3-4,11H,2,5-10,12H2,1H3,(H,21,25)
InChIKeyQUWZSCGZMIWQKZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.22
Rot. Bonds2

About N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 70764179) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID70764179
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CC2(CCC1=O)CCN(C(=O)Nc1cc(F)ccc1F)CC2
InChIInChI=1S/C18H23F2N3O2/c1-2-22-12-18(6-5-16(22)24)7-9-23(10-8-18)17(25)21-15-11-13(19)3-4-14(15)20/h3-4,11H,2,5-10,12H2,1H3,(H,21,25)
InChIKeyQUWZSCGZMIWQKZ-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72863104
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
N-(3-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72924305
2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70706545
2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
2-ethyl-9-(3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857950

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 70764179) is N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is CCN1CC2(CCC1=O)CCN(C(=O)Nc1cc(F)ccc1F)CC2.
What is the InChIKey of N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is QUWZSCGZMIWQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-2-22-12-18(6-5-16(22)24)7-9-23(10-8-18)17(25)21-15-11-13(19)3-4-14(15)20/h3-4,11H,2,5-10,12H2,1H3,(H,21,25).
What are the key properties of N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 70764179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).