3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide

C14H10Br2ClNO2 — CID 3324491

IUPAC3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-13-11(5-8(15)6-12(13)16)14(19)18-10-4-2-3-9(17)7-10/h2-7H,1H3,(H,18,19)
InChIKeyLJMKEQPXWSLCCD-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds3

About 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide

3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide (PubChem CID 3324491) has the molecular formula C14H10Br2ClNO2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
PubChem CID3324491
Molecular FormulaC14H10Br2ClNO2
Molecular Weight419.50 g/mol
Exact Mass416.88
IUPAC Name3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-20-13-11(5-8(15)6-12(13)16)14(19)18-10-4-2-3-9(17)7-10/h2-7H,1H3,(H,18,19)
InChIKeyLJMKEQPXWSLCCD-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

5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
5-bromo-N-[(3-chlorophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 22776187
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 17111223
3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 17111500
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide (CID 3324491) is 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide?
The InChIKey is LJMKEQPXWSLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO2/c1-20-13-11(5-8(15)6-12(13)16)14(19)18-10-4-2-3-9(17)7-10/h2-7H,1H3,(H,18,19).
What are the key properties of 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide?
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide 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 3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 3324491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).