methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate

C15H12BrNO4 — CID 108767103

IUPACmethyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2Br)c(O)c1
InChIInChI=1S/C15H12BrNO4/c1-21-15(20)9-6-7-12(13(18)8-9)17-14(19)10-4-2-3-5-11(10)16/h2-8,18H,1H3,(H,17,19)
InChIKeyYNGMWKPDRNFYRY-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.19
Rot. Bonds3

About methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate

methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate (PubChem CID 108767103) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
PubChem CID108767103
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Namemethyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2Br)c(O)c1
InChIInChI=1S/C15H12BrNO4/c1-21-15(20)9-6-7-12(13(18)8-9)17-14(19)10-4-2-3-5-11(10)16/h2-8,18H,1H3,(H,17,19)
InChIKeyYNGMWKPDRNFYRY-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
CID 108744837
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
methyl 3-hydroxy-4-[(4-pyrrol-1-ylbenzoyl)amino]benzoate
CID 108744794
2-[[4-[(2-hydroxyanilino)methyl]phenyl]methylamino]phenol;methyl 3-hydroxy-4-[[4-[(2-hydroxy-4-methoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 143099197
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate?
The IUPAC name of methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate (CID 108767103) is methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate?
The canonical SMILES for methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate is COC(=O)c1ccc(NC(=O)c2ccccc2Br)c(O)c1.
What is the InChIKey of methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate?
The InChIKey is YNGMWKPDRNFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-21-15(20)9-6-7-12(13(18)8-9)17-14(19)10-4-2-3-5-11(10)16/h2-8,18H,1H3,(H,17,19).
What are the key properties of methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate?
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate has a molecular weight of 350.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate is sourced from PubChem (CID 108767103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).