2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide

C23H21BrN2O4 — CID 112789539

IUPAC2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)ccc3Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O4/c1-3-30-18-10-8-17(9-11-18)25-22(27)15-4-6-16(7-5-15)26-23(28)20-14-19(29-2)12-13-21(20)24/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJAYAYAGWQJMJFU-UHFFFAOYSA-N
MW469.34 g/mol
LogP5.36
Rot. Bonds7

About 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide

2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide (PubChem CID 112789539) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
PubChem CID112789539
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)ccc3Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O4/c1-3-30-18-10-8-17(9-11-18)25-22(27)15-4-6-16(7-5-15)26-23(28)20-14-19(29-2)12-13-21(20)24/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJAYAYAGWQJMJFU-UHFFFAOYSA-N
XLogP5.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
2-bromo-N-(4-ethoxyphenyl)-5-sulfanylbenzamide
CID 107019829
2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
CID 2461548
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide (CID 112789539) is 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)ccc3Br)cc2)cc1.
What is the InChIKey of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide?
The InChIKey is JAYAYAGWQJMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-3-30-18-10-8-17(9-11-18)25-22(27)15-4-6-16(7-5-15)26-23(28)20-14-19(29-2)12-13-21(20)24/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide?
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide has a molecular weight of 469.34 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide is sourced from PubChem (CID 112789539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).