4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide

C24H21FN2O2 — CID 71449963

IUPAC4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c25-18-10-8-16(9-11-18)24(29)27-20-6-3-5-19(15-20)26-21-12-13-22-17(14-21)4-1-2-7-23(22)28/h3,5-6,8-15,26H,1-2,4,7H2,(H,27,29)
InChIKeyXBCGBFYIVUTOKW-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.73
Rot. Bonds4

About 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide

4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide (PubChem CID 71449963) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
PubChem CID71449963
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c25-18-10-8-16(9-11-18)24(29)27-20-6-3-5-19(15-20)26-21-12-13-22-17(14-21)4-1-2-7-23(22)28/h3,5-6,8-15,26H,1-2,4,7H2,(H,27,29)
InChIKeyXBCGBFYIVUTOKW-UHFFFAOYSA-N
XLogP5.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide with MolForge

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Related Compounds

N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 71449964
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
N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide
CID 71461129
N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide
CID 71450325
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 24736382
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide (CID 71449963) is 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide is O=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide?
The InChIKey is XBCGBFYIVUTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-18-10-8-16(9-11-18)24(29)27-20-6-3-5-19(15-20)26-21-12-13-22-17(14-21)4-1-2-7-23(22)28/h3,5-6,8-15,26H,1-2,4,7H2,(H,27,29).
What are the key properties of 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide?
4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 71449963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).