propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate

C18H18BrNO4 — CID 17050502

IUPACpropan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C18H18BrNO4/c1-11(2)24-18(22)12-4-7-14(8-5-12)20-17(21)15-10-13(19)6-9-16(15)23-3/h4-11H,1-3H3,(H,20,21)
InChIKeyAUOODPHINRSGGA-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.28
Rot. Bonds5

About propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate

propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate (PubChem CID 17050502) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
PubChem CID17050502
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Namepropan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C18H18BrNO4/c1-11(2)24-18(22)12-4-7-14(8-5-12)20-17(21)15-10-13(19)6-9-16(15)23-3/h4-11H,1-3H3,(H,20,21)
InChIKeyAUOODPHINRSGGA-UHFFFAOYSA-N
XLogP4.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17229681
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate (CID 17050502) is propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate is COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
The InChIKey is AUOODPHINRSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-11(2)24-18(22)12-4-7-14(8-5-12)20-17(21)15-10-13(19)6-9-16(15)23-3/h4-11H,1-3H3,(H,20,21).
What are the key properties of propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate?
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate has a molecular weight of 392.25 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17050502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).