N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide

C28H20F2N4O — CID 170001867

IUPACN-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
SMILESO=C(Nc1cc(F)cc(Nc2ccccc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C28H20F2N4O/c29-19-9-10-26-25(16-19)27(11-12-31-26)33-22-8-4-5-18(13-22)28(35)34-24-15-20(30)14-23(17-24)32-21-6-2-1-3-7-21/h1-17,32H,(H,31,33)(H,34,35)
InChIKeyRXCXKKCQKCGEGI-UHFFFAOYSA-N
MW466.49 g/mol
LogP7.25
Rot. Bonds6

About N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide

N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide (PubChem CID 170001867) has the molecular formula C28H20F2N4O and a molecular weight of 466.49 g/mol. Its IUPAC name is N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
PubChem CID170001867
Molecular FormulaC28H20F2N4O
Molecular Weight466.49 g/mol
Exact Mass466.16
IUPAC NameN-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
SMILESO=C(Nc1cc(F)cc(Nc2ccccc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C28H20F2N4O/c29-19-9-10-26-25(16-19)27(11-12-31-26)33-22-8-4-5-18(13-22)28(35)34-24-15-20(30)14-23(17-24)32-21-6-2-1-3-7-21/h1-17,32H,(H,31,33)(H,34,35)
InChIKeyRXCXKKCQKCGEGI-UHFFFAOYSA-N
XLogP7.25
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-2-methylbenzamide
CID 170001846
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(piperidin-4-ylamino)phenyl]benzamide
CID 166834688
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
CID 170001772
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide?
The IUPAC name of N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide (CID 170001867) is N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide is O=C(Nc1cc(F)cc(Nc2ccccc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1.
What is the InChIKey of N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide?
The InChIKey is RXCXKKCQKCGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N4O/c29-19-9-10-26-25(16-19)27(11-12-31-26)33-22-8-4-5-18(13-22)28(35)34-24-15-20(30)14-23(17-24)32-21-6-2-1-3-7-21/h1-17,32H,(H,31,33)(H,34,35).
What are the key properties of N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide?
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide has a molecular weight of 466.49 g/mol, XLogP of 7.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 170001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).