5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol

C16H15BrN2O6 — CID 142865656

IUPAC5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol
SMILESCO.COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1N=O
InChIInChI=1S/C15H11BrN2O5.CH4O/c1-23-13-5-2-8(6-12(13)18-22)14(19)17-11-4-3-9(16)7-10(11)15(20)21;1-2/h2-7H,1H3,(H,17,19)(H,20,21);2H,1H3
InChIKeyDHSXLHGRKNAVMZ-UHFFFAOYSA-N
MW411.21 g/mol
LogP3.41
Rot. Bonds5

About 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol

5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol (PubChem CID 142865656) has the molecular formula C16H15BrN2O6 and a molecular weight of 411.21 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol
PubChem CID142865656
Molecular FormulaC16H15BrN2O6
Molecular Weight411.21 g/mol
Exact Mass410.01
IUPAC Name5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol
SMILESCO.COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1N=O
InChIInChI=1S/C15H11BrN2O5.CH4O/c1-23-13-5-2-8(6-12(13)18-22)14(19)17-11-4-3-9(16)7-10(11)15(20)21;1-2/h2-7H,1H3,(H,17,19)(H,20,21);2H,1H3
InChIKeyDHSXLHGRKNAVMZ-UHFFFAOYSA-N
XLogP3.41
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.21
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 21204048
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4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
N-[4-bromo-2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 23107340
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol?
The IUPAC name of 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol (CID 142865656) is 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol.
What is the SMILES notation for 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol?
The canonical SMILES for 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol is CO.COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1N=O.
What is the InChIKey of 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol?
The InChIKey is DHSXLHGRKNAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O5.CH4O/c1-23-13-5-2-8(6-12(13)18-22)14(19)17-11-4-3-9(16)7-10(11)15(20)21;1-2/h2-7H,1H3,(H,17,19)(H,20,21);2H,1H3.
What are the key properties of 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol?
5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol has a molecular weight of 411.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxy-3-nitrosobenzoyl)amino]benzoic acid;methanol is sourced from PubChem (CID 142865656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).