3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide

C22H16Br4N2O4 — CID 5142163

IUPAC3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1
InChIInChI=1S/C22H16Br4N2O4/c1-31-19-15(7-11(23)9-17(19)25)21(29)27-13-3-5-14(6-4-13)28-22(30)16-8-12(24)10-18(26)20(16)32-2/h3-10H,1-2H3,(H,27,29)(H,28,30)
InChIKeySHEZZUJESJCCMG-UHFFFAOYSA-N
MW692.00 g/mol
LogP7.26
Rot. Bonds6

About 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide

3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide (PubChem CID 5142163) has the molecular formula C22H16Br4N2O4 and a molecular weight of 692.00 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
PubChem CID5142163
Molecular FormulaC22H16Br4N2O4
Molecular Weight692.00 g/mol
Exact Mass687.78
IUPAC Name3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1
InChIInChI=1S/C22H16Br4N2O4/c1-31-19-15(7-11(23)9-17(19)25)21(29)27-13-3-5-14(6-4-13)28-22(30)16-8-12(24)10-18(26)20(16)32-2/h3-10H,1-2H3,(H,27,29)(H,28,30)
InChIKeySHEZZUJESJCCMG-UHFFFAOYSA-N
XLogP7.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.00
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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

What is the IUPAC name of 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide (CID 5142163) is 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1.
What is the InChIKey of 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide?
The InChIKey is SHEZZUJESJCCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br4N2O4/c1-31-19-15(7-11(23)9-17(19)25)21(29)27-13-3-5-14(6-4-13)28-22(30)16-8-12(24)10-18(26)20(16)32-2/h3-10H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide?
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide has a molecular weight of 692.00 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 5142163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).