2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide

C14H18FN3O2 — CID 66212922

IUPAC2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NC1C(N)C2CCCOC21
InChIInChI=1S/C14H18FN3O2/c15-7-3-4-10(9(6-7)14(17)19)18-12-11(16)8-2-1-5-20-13(8)12/h3-4,6,8,11-13,18H,1-2,5,16H2,(H2,17,19)
InChIKeyUFANNUMJJCZARX-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.84
Rot. Bonds3

About 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide

2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide (PubChem CID 66212922) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide
PubChem CID66212922
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1NC1C(N)C2CCCOC21
InChIInChI=1S/C14H18FN3O2/c15-7-3-4-10(9(6-7)14(17)19)18-12-11(16)8-2-1-5-20-13(8)12/h3-4,6,8,11-13,18H,1-2,5,16H2,(H2,17,19)
InChIKeyUFANNUMJJCZARX-UHFFFAOYSA-N
XLogP0.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-6-chlorobenzamide
CID 66212527
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-3-bromobenzamide
CID 82809261
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
8-N-(6-methylpyridazin-3-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211559
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
CID 66195936
8-N-(4-bromo-5-fluoro-2-nitrophenyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66212718
2-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-6-chlorobenzamide
CID 66213061
8-N-pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211752
cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
CID 106322091
2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid
CID 83209576

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide?
The IUPAC name of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide (CID 66212922) is 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide.
What is the SMILES notation for 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide?
The canonical SMILES for 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1NC1C(N)C2CCCOC21.
What is the InChIKey of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide?
The InChIKey is UFANNUMJJCZARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-7-3-4-10(9(6-7)14(17)19)18-12-11(16)8-2-1-5-20-13(8)12/h3-4,6,8,11-13,18H,1-2,5,16H2,(H2,17,19).
What are the key properties of 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide?
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide is sourced from PubChem (CID 66212922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).