5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide

C28H22Br2N2O5 — CID 17296371

IUPAC5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)cc1
InChIInChI=1S/C28H22Br2N2O5/c1-35-25-13-3-17(29)15-23(25)27(33)31-19-5-9-21(10-6-19)37-22-11-7-20(8-12-22)32-28(34)24-16-18(30)4-14-26(24)36-2/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyHEMBPBADCRUVCO-UHFFFAOYSA-N
MW626.30 g/mol
LogP7.53
Rot. Bonds8

About 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide

5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide (PubChem CID 17296371) has the molecular formula C28H22Br2N2O5 and a molecular weight of 626.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
PubChem CID17296371
Molecular FormulaC28H22Br2N2O5
Molecular Weight626.30 g/mol
Exact Mass623.99
IUPAC Name5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)cc1
InChIInChI=1S/C28H22Br2N2O5/c1-35-25-13-3-17(29)15-23(25)27(33)31-19-5-9-21(10-6-19)37-22-11-7-20(8-12-22)32-28(34)24-16-18(30)4-14-26(24)36-2/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyHEMBPBADCRUVCO-UHFFFAOYSA-N
XLogP7.53
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.30
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide (CID 17296371) is 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)cc1.
What is the InChIKey of 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide?
The InChIKey is HEMBPBADCRUVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Br2N2O5/c1-35-25-13-3-17(29)15-23(25)27(33)31-19-5-9-21(10-6-19)37-22-11-7-20(8-12-22)32-28(34)24-16-18(30)4-14-26(24)36-2/h3-16H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide?
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide has a molecular weight of 626.30 g/mol, XLogP of 7.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17296371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).