5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide

C21H14Br2Cl2N2O3 — CID 3910940

IUPAC5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C21H14Br2Cl2N2O3/c1-30-19-7-4-13(26-20(28)14-8-11(22)2-5-16(14)24)10-18(19)27-21(29)15-9-12(23)3-6-17(15)25/h2-10H,1H3,(H,26,28)(H,27,29)
InChIKeyNRYXTKOBMLKNMN-UHFFFAOYSA-N
MW573.07 g/mol
LogP7.03
Rot. Bonds5

About 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide

5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide (PubChem CID 3910940) has the molecular formula C21H14Br2Cl2N2O3 and a molecular weight of 573.07 g/mol. Its IUPAC name is 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
PubChem CID3910940
Molecular FormulaC21H14Br2Cl2N2O3
Molecular Weight573.07 g/mol
Exact Mass569.87
IUPAC Name5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C21H14Br2Cl2N2O3/c1-30-19-7-4-13(26-20(28)14-8-11(22)2-5-16(14)24)10-18(19)27-21(29)15-9-12(23)3-6-17(15)25/h2-10H,1H3,(H,26,28)(H,27,29)
InChIKeyNRYXTKOBMLKNMN-UHFFFAOYSA-N
XLogP7.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.07
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103414514
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
CID 3939031
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide (CID 3910940) is 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide is COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide?
The InChIKey is NRYXTKOBMLKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2Cl2N2O3/c1-30-19-7-4-13(26-20(28)14-8-11(22)2-5-16(14)24)10-18(19)27-21(29)15-9-12(23)3-6-17(15)25/h2-10H,1H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide?
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide has a molecular weight of 573.07 g/mol, XLogP of 7.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide is sourced from PubChem (CID 3910940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).