3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid

C18H17FN2O4 — CID 53052897

IUPAC3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O4/c19-14-4-1-12(2-5-14)17(22)20-15-11-13(18(23)24)3-6-16(15)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)(H,23,24)
InChIKeyYRYXYZJRDQIDKI-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.61
Rot. Bonds4

About 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid

3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid (PubChem CID 53052897) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
PubChem CID53052897
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O4/c19-14-4-1-12(2-5-14)17(22)20-15-11-13(18(23)24)3-6-16(15)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)(H,23,24)
InChIKeyYRYXYZJRDQIDKI-UHFFFAOYSA-N
XLogP2.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
3-[(4-fluorobenzoyl)amino]-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid
CID 46285274

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid (CID 53052897) is 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid is O=C(O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
The InChIKey is YRYXYZJRDQIDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-14-4-1-12(2-5-14)17(22)20-15-11-13(18(23)24)3-6-16(15)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)(H,23,24).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid has a molecular weight of 344.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 53052897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).