3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide

C14H10Br2ClNO2 — CID 107999128

IUPAC3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-11(17)10(16)6-8/h2-7H,1H3,(H,18,19)
InChIKeyALMCXGMBJNJHIB-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds3

About 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide

3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide (PubChem CID 107999128) has the molecular formula C14H10Br2ClNO2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
PubChem CID107999128
Molecular FormulaC14H10Br2ClNO2
Molecular Weight419.50 g/mol
Exact Mass416.88
IUPAC Name3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-11(17)10(16)6-8/h2-7H,1H3,(H,18,19)
InChIKeyALMCXGMBJNJHIB-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801
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
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide (CID 107999128) is 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide is COc1ccc(Br)cc1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide?
The InChIKey is ALMCXGMBJNJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-11(17)10(16)6-8/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide?
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide has a molecular weight of 419.50 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide is sourced from PubChem (CID 107999128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).