2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid

C24H22N2O5 — CID 11235448

IUPAC2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(N2CCOCC2)c(Oc2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-30-15-13-26)22(16-17)31-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)
InChIKeySYFDHLUJJBSCKT-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.27
Rot. Bonds6

About 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid

2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid (PubChem CID 11235448) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid
PubChem CID11235448
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(N2CCOCC2)c(Oc2ccccc2)c1
InChIInChI=1S/C24H22N2O5/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-30-15-13-26)22(16-17)31-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29)
InChIKeySYFDHLUJJBSCKT-UHFFFAOYSA-N
XLogP4.27
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid (CID 11235448) is 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(N2CCOCC2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid?
The InChIKey is SYFDHLUJJBSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c27-23(25-20-9-5-4-8-19(20)24(28)29)17-10-11-21(26-12-14-30-15-13-26)22(16-17)31-18-6-2-1-3-7-18/h1-11,16H,12-15H2,(H,25,27)(H,28,29).
What are the key properties of 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid?
2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid has a molecular weight of 418.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-3-phenoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 11235448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).