methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate

C16H14BrNO4 — CID 1226570

IUPACmethyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H14BrNO4/c1-21-14-8-7-10(9-12(14)17)15(19)18-13-6-4-3-5-11(13)16(20)22-2/h3-9H,1-2H3,(H,18,19)
InChIKeyRDRALXWAICTLOR-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.50
Rot. Bonds4

About methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate

methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate (PubChem CID 1226570) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
PubChem CID1226570
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Namemethyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H14BrNO4/c1-21-14-8-7-10(9-12(14)17)15(19)18-13-6-4-3-5-11(13)16(20)22-2/h3-9H,1-2H3,(H,18,19)
InChIKeyRDRALXWAICTLOR-UHFFFAOYSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[(5-bromo-6-oxopyran-3-carbonyl)amino]benzoate
CID 3723064
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
methyl 2-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]benzoate
CID 4956083
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate (CID 1226570) is methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate?
The InChIKey is RDRALXWAICTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-21-14-8-7-10(9-12(14)17)15(19)18-13-6-4-3-5-11(13)16(20)22-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate?
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate has a molecular weight of 364.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 1226570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).