4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid

C20H14BrNO3 — CID 155193999

IUPAC4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C20H14BrNO3/c21-17-9-11-18(12-10-17)22-19(23)15-5-1-13(2-6-15)14-3-7-16(8-4-14)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyWAGQERJMUNJUFU-UHFFFAOYSA-N
MW396.24 g/mol
LogP5.07
Rot. Bonds4

About 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid

4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 155193999) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
PubChem CID155193999
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C20H14BrNO3/c21-17-9-11-18(12-10-17)22-19(23)15-5-1-13(2-6-15)14-3-7-16(8-4-14)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyWAGQERJMUNJUFU-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

Analyze 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid (CID 155193999) is 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is WAGQERJMUNJUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c21-17-9-11-18(12-10-17)22-19(23)15-5-1-13(2-6-15)14-3-7-16(8-4-14)20(24)25/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid?
4-[4-[(4-bromophenyl)carbamoyl]phenyl]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 4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 155193999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).