4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide

C15H13BrClNO3 — CID 55883648

IUPAC4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H13BrClNO3/c1-20-10-4-6-14(21-2)13(8-10)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyKJKLKABBXZYJEZ-UHFFFAOYSA-N
MW370.63 g/mol
LogP4.37
Rot. Bonds4

About 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide

4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 55883648) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID55883648
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Name4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H13BrClNO3/c1-20-10-4-6-14(21-2)13(8-10)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyKJKLKABBXZYJEZ-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
CID 78987859
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide (CID 55883648) is 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is KJKLKABBXZYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c1-20-10-4-6-14(21-2)13(8-10)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide?
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 370.63 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 55883648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).