azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate

C19H24F2N4O4 — CID 171540921

IUPACazetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate
SMILESCNC(=O)CCC(C=O)c1c(F)cc(N2CC(NC(=O)OC3CNC3)C2)cc1F
InChIInChI=1S/C19H24F2N4O4/c1-22-17(27)3-2-11(10-26)18-15(20)4-13(5-16(18)21)25-8-12(9-25)24-19(28)29-14-6-23-7-14/h4-5,10-12,14,23H,2-3,6-9H2,1H3,(H,22,27)(H,24,28)
InChIKeyKFQUMRRWLSKVMW-UHFFFAOYSA-N
MW410.42 g/mol
LogP0.66
Rot. Bonds8

About azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate

azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate (PubChem CID 171540921) has the molecular formula C19H24F2N4O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nameazetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate
PubChem CID171540921
Molecular FormulaC19H24F2N4O4
Molecular Weight410.42 g/mol
Exact Mass410.18
IUPAC Nameazetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate
SMILESCNC(=O)CCC(C=O)c1c(F)cc(N2CC(NC(=O)OC3CNC3)C2)cc1F
InChIInChI=1S/C19H24F2N4O4/c1-22-17(27)3-2-11(10-26)18-15(20)4-13(5-16(18)21)25-8-12(9-25)24-19(28)29-14-6-23-7-14/h4-5,10-12,14,23H,2-3,6-9H2,1H3,(H,22,27)(H,24,28)
InChIKeyKFQUMRRWLSKVMW-UHFFFAOYSA-N
XLogP0.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1-methylazetidin-3-yl) N-[1-[4-[1-(cyclopropylidenemethylamino)-1-oxopentan-2-yl]-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171540948
[1-[cyclopropyl(methyl)carbamoyl]azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541012
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
tert-butyl(trimethyl)-λ4-sulfane;cyclobutylmethyl N-[1-[3,5-difluoro-4-(1-formamido-1-oxopentan-2-yl)phenyl]azetidin-3-yl]carbamate
CID 171541099
4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
CID 172569732
4-[4-[4-(azetidin-3-yl)piperazin-1-yl]-7-fluoro-3-methyl-2-oxobenzimidazol-1-yl]-N-methyl-5-oxopentanamide
CID 178005458
2-methylpentyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541076
N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide
CID 166112823
[1-(3-methyl-2-pyridinyl)azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541146
methyl N-[1-(3-fluoro-5-formylphenyl)pyrrolidin-3-yl]carbamate
CID 106529376
1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine
CID 134166790
2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial
CID 177027932

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate?
The IUPAC name of azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate (CID 171540921) is azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate.
What is the SMILES notation for azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate?
The canonical SMILES for azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate is CNC(=O)CCC(C=O)c1c(F)cc(N2CC(NC(=O)OC3CNC3)C2)cc1F.
What is the InChIKey of azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate?
The InChIKey is KFQUMRRWLSKVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O4/c1-22-17(27)3-2-11(10-26)18-15(20)4-13(5-16(18)21)25-8-12(9-25)24-19(28)29-14-6-23-7-14/h4-5,10-12,14,23H,2-3,6-9H2,1H3,(H,22,27)(H,24,28).
What are the key properties of azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate?
azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate has a molecular weight of 410.42 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl N-[1-[3,5-difluoro-4-[5-(methylamino)-1,5-dioxopentan-2-yl]phenyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 171540921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).