2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid

C25H24N2O5 — CID 87227519

IUPAC2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCOCC2)ccc1O
InChIInChI=1S/C25H24N2O5/c28-23-9-6-17(16-27-10-12-32-13-11-27)14-21(23)24(29)26-22-15-19(7-8-20(22)25(30)31)18-4-2-1-3-5-18/h1-9,14-15,28H,10-13,16H2,(H,26,29)(H,30,31)
InChIKeyBLHDSGDBEQRGLV-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.84
Rot. Bonds6

About 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid

2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid (PubChem CID 87227519) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
PubChem CID87227519
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCOCC2)ccc1O
InChIInChI=1S/C25H24N2O5/c28-23-9-6-17(16-27-10-12-32-13-11-27)14-21(23)24(29)26-22-15-19(7-8-20(22)25(30)31)18-4-2-1-3-5-18/h1-9,14-15,28H,10-13,16H2,(H,26,29)(H,30,31)
InChIKeyBLHDSGDBEQRGLV-UHFFFAOYSA-N
XLogP3.84
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid
CID 58508844
2-[[5-[(4-aminopiperidin-1-yl)methyl]-2-hydroxybenzoyl]amino]-4-phenylbenzoic acid
CID 58508901
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid;methanesulfonic acid
CID 87227174
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508448
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
tert-butyl 2-[[5-(bromomethyl)-2-ethoxybenzoyl]amino]-4-phenylbenzoate;tert-butyl 4-[[4-ethoxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylphenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;2-[[2-hydroxy-5-(piperazin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 161259450
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
tert-butyl 4-[2-[4-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylphenyl]carbamoyl]phenyl]ethyl]piperazine-1-carboxylate
CID 58508746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid (CID 87227519) is 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCOCC2)ccc1O.
What is the InChIKey of 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
The InChIKey is BLHDSGDBEQRGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c28-23-9-6-17(16-27-10-12-32-13-11-27)14-21(23)24(29)26-22-15-19(7-8-20(22)25(30)31)18-4-2-1-3-5-18/h1-9,14-15,28H,10-13,16H2,(H,26,29)(H,30,31).
What are the key properties of 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid has a molecular weight of 432.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid is sourced from PubChem (CID 87227519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).