5-bromo-2-(naphthalene-2-carbonylamino)benzoate

C18H11BrNO3- — CID 9321752

IUPAC5-bromo-2-(naphthalene-2-carbonylamino)benzoate
SMILESO=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C18H12BrNO3/c19-14-7-8-16(15(10-14)18(22)23)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21)(H,22,23)/p-1
InChIKeyQBIRHPBESKFQEE-UHFFFAOYSA-M
MW369.19 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-2-(naphthalene-2-carbonylamino)benzoate

5-bromo-2-(naphthalene-2-carbonylamino)benzoate (PubChem CID 9321752) has the molecular formula C18H11BrNO3- and a molecular weight of 369.19 g/mol. Its IUPAC name is 5-bromo-2-(naphthalene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name5-bromo-2-(naphthalene-2-carbonylamino)benzoate
PubChem CID9321752
Molecular FormulaC18H11BrNO3-
Molecular Weight369.19 g/mol
Exact Mass367.99
IUPAC Name5-bromo-2-(naphthalene-2-carbonylamino)benzoate
SMILESO=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C18H12BrNO3/c19-14-7-8-16(15(10-14)18(22)23)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21)(H,22,23)/p-1
InChIKeyQBIRHPBESKFQEE-UHFFFAOYSA-M
XLogP3.22
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
CID 176689257
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
5-bromo-2-(furan-2-carbonylamino)benzoate
CID 7046155
N-[4-bromo-2-[2-[1-(diaminomethylideneamino)propylamino]-2-oxoacetyl]phenyl]naphthalene-2-carboxamide;hydrochloride
CID 139413728
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(2-sulfanylphenyl)naphthalene-2-carboxamide
CID 23961098
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
5-bromo-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 6989800
5-bromo-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
CID 2215982
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(naphthalene-2-carbonylamino)benzoate?
The IUPAC name of 5-bromo-2-(naphthalene-2-carbonylamino)benzoate (CID 9321752) is 5-bromo-2-(naphthalene-2-carbonylamino)benzoate.
What is the SMILES notation for 5-bromo-2-(naphthalene-2-carbonylamino)benzoate?
The canonical SMILES for 5-bromo-2-(naphthalene-2-carbonylamino)benzoate is O=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-2-(naphthalene-2-carbonylamino)benzoate?
The InChIKey is QBIRHPBESKFQEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12BrNO3/c19-14-7-8-16(15(10-14)18(22)23)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21)(H,22,23)/p-1.
What are the key properties of 5-bromo-2-(naphthalene-2-carbonylamino)benzoate?
5-bromo-2-(naphthalene-2-carbonylamino)benzoate has a molecular weight of 369.19 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(naphthalene-2-carbonylamino)benzoate is sourced from PubChem (CID 9321752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).