5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid

C27H21NO5 — CID 74221821

IUPAC5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C27H21NO5/c29-25-16-13-21(17-24(25)27(31)32)28(18-19-7-3-1-4-8-19)26(30)20-11-14-23(15-12-20)33-22-9-5-2-6-10-22/h1-17,29H,18H2,(H,31,32)
InChIKeyBGRTXENBSOHKMP-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.73
Rot. Bonds7

About 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid

5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 74221821) has the molecular formula C27H21NO5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID74221821
Molecular FormulaC27H21NO5
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC Name5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C27H21NO5/c29-25-16-13-21(17-24(25)27(31)32)28(18-19-7-3-1-4-8-19)26(30)20-11-14-23(15-12-20)33-22-9-5-2-6-10-22/h1-17,29H,18H2,(H,31,32)
InChIKeyBGRTXENBSOHKMP-UHFFFAOYSA-N
XLogP5.73
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-[(3-methoxy-4-methylphenyl)methyl-(4-phenoxybenzoyl)amino]benzoic acid
CID 118370961
N-benzyl-N-(3-formyl-4-hydroxyphenyl)-4-phenoxybenzamide
CID 144619659
methyl 5-[(4-bromophenyl)methyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoate
CID 118365840
2-hydroxy-5-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl-[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 11433372
5-[benzoyl-[(4-heptylphenyl)methyl]amino]-2-hydroxybenzoic acid
CID 74221914
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]-4-phenoxybenzamide
CID 144619655
5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(4-hexylbenzoyl)amino]-2-hydroxybenzoic acid
CID 11180816
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid
CID 58693694
5-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]-2-(tetrazol-1-yl)benzoic acid
CID 67768200
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid (CID 74221821) is 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(N(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1O.
What is the InChIKey of 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is BGRTXENBSOHKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5/c29-25-16-13-21(17-24(25)27(31)32)28(18-19-7-3-1-4-8-19)26(30)20-11-14-23(15-12-20)33-22-9-5-2-6-10-22/h1-17,29H,18H2,(H,31,32).
What are the key properties of 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid?
5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 439.47 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 74221821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).