5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid

C20H14BrNO3 — CID 3118195

IUPAC5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14BrNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyHQRXUHNDNXQYCV-UHFFFAOYSA-N
MW396.24 g/mol
LogP5.07
Rot. Bonds4

About 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid

5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid (PubChem CID 3118195) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid
PubChem CID3118195
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14BrNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyHQRXUHNDNXQYCV-UHFFFAOYSA-N
XLogP5.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.24
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid (CID 3118195) is 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is HQRXUHNDNXQYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid?
5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid has a molecular weight of 396.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 3118195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).