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

C22H19FN2O3 — CID 71450325

IUPACN-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F)c1ccoc1
InChIInChI=1S/C22H19FN2O3/c23-19-8-6-17(12-20(19)25-22(27)15-9-10-28-13-15)24-16-5-7-18-14(11-16)3-1-2-4-21(18)26/h5-13,24H,1-4H2,(H,25,27)
InChIKeyOUSCRQHOQLAULW-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.32
Rot. Bonds4

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

N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide (PubChem CID 71450325) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide
PubChem CID71450325
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC NameN-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F)c1ccoc1
InChIInChI=1S/C22H19FN2O3/c23-19-8-6-17(12-20(19)25-22(27)15-9-10-28-13-15)24-16-5-7-18-14(11-16)3-1-2-4-21(18)26/h5-13,24H,1-4H2,(H,25,27)
InChIKeyOUSCRQHOQLAULW-UHFFFAOYSA-N
XLogP5.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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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-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235
N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide
CID 71461129
N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057222
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
N-[2-(2,3-dihydroindol-1-yl)phenyl]furan-3-carboxamide
CID 43066807
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 39139403
N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide
CID 71892546
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
N-[3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 32600536
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide (CID 71450325) is N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide is O=C(Nc1cc(Nc2ccc3c(c2)CCCCC3=O)ccc1F)c1ccoc1.
What is the InChIKey of N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide?
The InChIKey is OUSCRQHOQLAULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-19-8-6-17(12-20(19)25-22(27)15-9-10-28-13-15)24-16-5-7-18-14(11-16)3-1-2-4-21(18)26/h5-13,24H,1-4H2,(H,25,27).
What are the key properties of N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide?
N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 71450325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).