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

C17H16BrNO3 — CID 45434078

IUPAC5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C17H16BrNO3/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-8-7-13(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyVLDJVLWAZUHQRL-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.52
Rot. Bonds4

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

5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid (PubChem CID 45434078) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
PubChem CID45434078
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C17H16BrNO3/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-8-7-13(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyVLDJVLWAZUHQRL-UHFFFAOYSA-N
XLogP4.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
5-iodo-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid
CID 5172275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid (CID 45434078) is 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid is CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1.
What is the InChIKey of 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
The InChIKey is VLDJVLWAZUHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-8-7-13(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid has a molecular weight of 362.22 g/mol, XLogP of 4.52, 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-propan-2-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 45434078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).