propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate

C18H17Br2NO4 — CID 17050274

IUPACpropan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C18H17Br2NO4/c1-10(2)25-18(23)11-4-6-13(7-5-11)21-17(22)14-8-12(19)9-15(20)16(14)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyKCXQTZMONSVOKJ-UHFFFAOYSA-N
MW471.15 g/mol
LogP5.04
Rot. Bonds5

About propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate

propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate (PubChem CID 17050274) has the molecular formula C18H17Br2NO4 and a molecular weight of 471.15 g/mol. Its IUPAC name is propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
PubChem CID17050274
Molecular FormulaC18H17Br2NO4
Molecular Weight471.15 g/mol
Exact Mass468.95
IUPAC Namepropan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C18H17Br2NO4/c1-10(2)25-18(23)11-4-6-13(7-5-11)21-17(22)14-8-12(19)9-15(20)16(14)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyKCXQTZMONSVOKJ-UHFFFAOYSA-N
XLogP5.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.15
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445
propan-2-yl 2-[(3,5-dibromo-2-methoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128254
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 17111500
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 17341082
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate (CID 17050274) is propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate?
The InChIKey is KCXQTZMONSVOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2NO4/c1-10(2)25-18(23)11-4-6-13(7-5-11)21-17(22)14-8-12(19)9-15(20)16(14)24-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate?
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate has a molecular weight of 471.15 g/mol, XLogP of 5.04, 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-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17050274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).