2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid

C20H14BrNO5 — CID 11464505

IUPAC2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid
SMILESO=C(Nc1cccc(O)c1C(=O)O)c1ccc(Br)c(Oc2ccccc2)c1
InChIInChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
InChIKeyDZBMWOJXZNLVRL-UHFFFAOYSA-N
MW428.24 g/mol
LogP4.90
Rot. Bonds5

About 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid

2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid (PubChem CID 11464505) has the molecular formula C20H14BrNO5 and a molecular weight of 428.24 g/mol. Its IUPAC name is 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid
PubChem CID11464505
Molecular FormulaC20H14BrNO5
Molecular Weight428.24 g/mol
Exact Mass427.01
IUPAC Name2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid
SMILESO=C(Nc1cccc(O)c1C(=O)O)c1ccc(Br)c(Oc2ccccc2)c1
InChIInChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)
InChIKeyDZBMWOJXZNLVRL-UHFFFAOYSA-N
XLogP4.90
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid?
The IUPAC name of 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid (CID 11464505) is 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid.
What is the SMILES notation for 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid?
The canonical SMILES for 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid is O=C(Nc1cccc(O)c1C(=O)O)c1ccc(Br)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid?
The InChIKey is DZBMWOJXZNLVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO5/c21-14-10-9-12(11-17(14)27-13-5-2-1-3-6-13)19(24)22-15-7-4-8-16(23)18(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26).
What are the key properties of 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid?
2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid has a molecular weight of 428.24 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-hydroxybenzoic acid is sourced from PubChem (CID 11464505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).