3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide

C28H21FN2O2 — CID 71450329

IUPAC3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1cccc(F)c1
InChIInChI=1S/C28H21FN2O2/c29-21-7-3-6-20(15-21)28(33)31-23-9-4-8-22(17-23)30-24-13-14-26-19(16-24)12-11-18-5-1-2-10-25(18)27(26)32/h1-10,13-17,30H,11-12H2,(H,31,33)
InChIKeyOAQUVHHCVYGHRK-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.15
Rot. Bonds4

About 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide

3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide (PubChem CID 71450329) has the molecular formula C28H21FN2O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide
PubChem CID71450329
Molecular FormulaC28H21FN2O2
Molecular Weight436.49 g/mol
Exact Mass436.16
IUPAC Name3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1cccc(F)c1
InChIInChI=1S/C28H21FN2O2/c29-21-7-3-6-20(15-21)28(33)31-23-9-4-8-22(17-23)30-24-13-14-26-19(16-24)12-11-18-5-1-2-10-25(18)27(26)32/h1-10,13-17,30H,11-12H2,(H,31,33)
InChIKeyOAQUVHHCVYGHRK-UHFFFAOYSA-N
XLogP6.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
CID 71449963
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 71449964
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
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CID 46785922
N-[4-fluoro-3-[[14-(2-hydroxyethoxy)-2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]amino]phenyl]benzamide
CID 71545364
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-fluorobenzamide
CID 121363974
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide (CID 71450329) is 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide is O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide?
The InChIKey is OAQUVHHCVYGHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O2/c29-21-7-3-6-20(15-21)28(33)31-23-9-4-8-22(17-23)30-24-13-14-26-19(16-24)12-11-18-5-1-2-10-25(18)27(26)32/h1-10,13-17,30H,11-12H2,(H,31,33).
What are the key properties of 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide?
3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)amino]phenyl]benzamide is sourced from PubChem (CID 71450329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).