4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide

C21H15BrCl2N2O3 — CID 1034731

IUPAC4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C21H15BrCl2N2O3/c1-29-19-10-13(21(28)26-18-11-15(23)6-7-16(18)24)5-8-17(19)25-20(27)12-3-2-4-14(22)9-12/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyOERWFABALQZTAT-UHFFFAOYSA-N
MW494.17 g/mol
LogP6.27
Rot. Bonds5

About 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide

4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide (PubChem CID 1034731) has the molecular formula C21H15BrCl2N2O3 and a molecular weight of 494.17 g/mol. Its IUPAC name is 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
PubChem CID1034731
Molecular FormulaC21H15BrCl2N2O3
Molecular Weight494.17 g/mol
Exact Mass491.96
IUPAC Name4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C21H15BrCl2N2O3/c1-29-19-10-13(21(28)26-18-11-15(23)6-7-16(18)24)5-8-17(19)25-20(27)12-3-2-4-14(22)9-12/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyOERWFABALQZTAT-UHFFFAOYSA-N
XLogP6.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.17
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide?
The IUPAC name of 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide (CID 1034731) is 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide?
The canonical SMILES for 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide?
The InChIKey is OERWFABALQZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrCl2N2O3/c1-29-19-10-13(21(28)26-18-11-15(23)6-7-16(18)24)5-8-17(19)25-20(27)12-3-2-4-14(22)9-12/h2-11H,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide?
4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide has a molecular weight of 494.17 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromobenzoyl)amino]-N-(2,5-dichlorophenyl)-3-methoxybenzamide is sourced from PubChem (CID 1034731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).