2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide

C18H13F2N3O3 — CID 53244085

IUPAC2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NOC3CC23)cc1
InChIInChI=1S/C18H13F2N3O3/c19-12-2-1-3-13(20)15(12)17(24)22-18(25)21-10-6-4-9(5-7-10)16-11-8-14(11)26-23-16/h1-7,11,14H,8H2,(H2,21,22,24,25)
InChIKeyXVMITOBEQUYBIJ-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.05
Rot. Bonds3

About 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide (PubChem CID 53244085) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide
PubChem CID53244085
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Name2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NOC3CC23)cc1
InChIInChI=1S/C18H13F2N3O3/c19-12-2-1-3-13(20)15(12)17(24)22-18(25)21-10-6-4-9(5-7-10)16-11-8-14(11)26-23-16/h1-7,11,14H,8H2,(H2,21,22,24,25)
InChIKeyXVMITOBEQUYBIJ-UHFFFAOYSA-N
XLogP3.05
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 25171731
N-[[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylcarbamoyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 67937875
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[[4-[[[(4-chlorophenyl)-cyclopropylidenemethyl]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 56628540

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide (CID 53244085) is 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NOC3CC23)cc1.
What is the InChIKey of 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide?
The InChIKey is XVMITOBEQUYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c19-12-2-1-3-13(20)15(12)17(24)22-18(25)21-10-6-4-9(5-7-10)16-11-8-14(11)26-23-16/h1-7,11,14H,8H2,(H2,21,22,24,25).
What are the key properties of 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide has a molecular weight of 357.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 53244085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).