2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid

C22H19NO4 — CID 11624691

IUPAC2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H19NO4/c24-18-12-10-17(11-13-18)16-8-5-15(6-9-16)7-14-21(25)23-20-4-2-1-3-19(20)22(26)27/h1-6,8-13,24H,7,14H2,(H,23,25)(H,26,27)
InChIKeyVBPMQBZODXGVDD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.33
Rot. Bonds6

About 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid

2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid (PubChem CID 11624691) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid
PubChem CID11624691
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H19NO4/c24-18-12-10-17(11-13-18)16-8-5-15(6-9-16)7-14-21(25)23-20-4-2-1-3-19(20)22(26)27/h1-6,8-13,24H,7,14H2,(H,23,25)(H,26,27)
InChIKeyVBPMQBZODXGVDD-UHFFFAOYSA-N
XLogP4.33
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
CID 67273
Avenanthramide A
CID 5281157
2-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)amino)benzoic acid
CID 6443019
Bibr 1532
CID 9927531
Avenanthramide C
CID 11723200
N-(p-Amylcinnamoyl)anthranilic acid
CID 5353376
5-Hydroxy-2-(((2E,4E)-5-(4-hydroxyphenyl)-1-oxo-2,4-pentadien-1-yl)amino)benzoic acid
CID 101688490
2-(2-Phenylacetamido)benzoic acid
CID 766289
3-Hydroxy-2-anthro-o-toluidide
CID 74593
Avenanthramide G
CID 12003326
2-[(Biphenyl-4-ylcarbonyl)amino]benzoic acid
CID 914489
2-[(3-Phenoxy-4-phenylbenzene)amido]benzoic acid
CID 11177309

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid (CID 11624691) is 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid is O=C(CCc1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid?
The InChIKey is VBPMQBZODXGVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-18-12-10-17(11-13-18)16-8-5-15(6-9-16)7-14-21(25)23-20-4-2-1-3-19(20)22(26)27/h1-6,8-13,24H,7,14H2,(H,23,25)(H,26,27).
What are the key properties of 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid?
2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 11624691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).