4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide

C24H17ClFN3O4 — CID 55889947

IUPAC4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C24H17ClFN3O4/c1-32-21-9-7-17(11-20(21)29-24(31)18-8-6-16(25)10-19(18)26)28-23(30)15-4-2-14(3-5-15)22-12-27-13-33-22/h2-13H,1H3,(H,28,30)(H,29,31)
InChIKeyGSYHELCFJLVSKX-UHFFFAOYSA-N
MW465.87 g/mol
LogP5.65
Rot. Bonds6

About 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide

4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide (PubChem CID 55889947) has the molecular formula C24H17ClFN3O4 and a molecular weight of 465.87 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
PubChem CID55889947
Molecular FormulaC24H17ClFN3O4
Molecular Weight465.87 g/mol
Exact Mass465.09
IUPAC Name4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C24H17ClFN3O4/c1-32-21-9-7-17(11-20(21)29-24(31)18-8-6-16(25)10-19(18)26)28-23(30)15-4-2-14(3-5-15)22-12-27-13-33-22/h2-13H,1H3,(H,28,30)(H,29,31)
InChIKeyGSYHELCFJLVSKX-UHFFFAOYSA-N
XLogP5.65
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.87
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide with MolForge

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Related Compounds

N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55890330
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide (CID 55889947) is 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide?
The InChIKey is GSYHELCFJLVSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O4/c1-32-21-9-7-17(11-20(21)29-24(31)18-8-6-16(25)10-19(18)26)28-23(30)15-4-2-14(3-5-15)22-12-27-13-33-22/h2-13H,1H3,(H,28,30)(H,29,31).
What are the key properties of 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide?
4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide has a molecular weight of 465.87 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 55889947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).