2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide

C15H13Br2NO3 — CID 990540

IUPAC2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H13Br2NO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(16)3-5-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyBWEFERHMAYSACU-UHFFFAOYSA-N
MW415.08 g/mol
LogP4.48
Rot. Bonds4

About 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide

2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide (PubChem CID 990540) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
PubChem CID990540
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC Name2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H13Br2NO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(16)3-5-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyBWEFERHMAYSACU-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
CID 17493489
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide (CID 990540) is 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1OC.
What is the InChIKey of 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is BWEFERHMAYSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(16)3-5-12(11)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide?
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 415.08 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).