2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide

C23H19BrFN3O2 — CID 166365755

IUPAC2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1C(=O)NC1CCNc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C23H19BrFN3O2/c24-15-5-3-4-14(12-15)22(29)28-21-13-16(25)8-9-18(21)23(30)27-20-10-11-26-19-7-2-1-6-17(19)20/h1-9,12-13,20,26H,10-11H2,(H,27,30)(H,28,29)
InChIKeyMADDVCJGNSBJQI-UHFFFAOYSA-N
MW468.33 g/mol
LogP5.13
Rot. Bonds4

About 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide

2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide (PubChem CID 166365755) has the molecular formula C23H19BrFN3O2 and a molecular weight of 468.33 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide
PubChem CID166365755
Molecular FormulaC23H19BrFN3O2
Molecular Weight468.33 g/mol
Exact Mass467.06
IUPAC Name2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1C(=O)NC1CCNc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C23H19BrFN3O2/c24-15-5-3-4-14(12-15)22(29)28-21-13-16(25)8-9-18(21)23(30)27-20-10-11-26-19-7-2-1-6-17(19)20/h1-9,12-13,20,26H,10-11H2,(H,27,30)(H,28,29)
InChIKeyMADDVCJGNSBJQI-UHFFFAOYSA-N
XLogP5.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.33
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzamide
CID 112823876
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CID 113093162
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
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2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
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3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
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3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide (CID 166365755) is 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide is O=C(Nc1cc(F)ccc1C(=O)NC1CCNc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
The InChIKey is MADDVCJGNSBJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O2/c24-15-5-3-4-14(12-15)22(29)28-21-13-16(25)8-9-18(21)23(30)27-20-10-11-26-19-7-2-1-6-17(19)20/h1-9,12-13,20,26H,10-11H2,(H,27,30)(H,28,29).
What are the key properties of 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide has a molecular weight of 468.33 g/mol, XLogP of 5.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide is sourced from PubChem (CID 166365755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).