2,5-dibromo-N-carbamoylbenzamide

C8H6Br2N2O2 — CID 114375953

IUPAC2,5-dibromo-N-carbamoylbenzamide
SMILESNC(=O)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C8H6Br2N2O2/c9-4-1-2-6(10)5(3-4)7(13)12-8(11)14/h1-3H,(H3,11,12,13,14)
InChIKeyQSZVUKGHCMJYHG-UHFFFAOYSA-N
MW321.96 g/mol
LogP2.02
Rot. Bonds1

About 2,5-dibromo-N-carbamoylbenzamide

2,5-dibromo-N-carbamoylbenzamide (PubChem CID 114375953) has the molecular formula C8H6Br2N2O2 and a molecular weight of 321.96 g/mol. Its IUPAC name is 2,5-dibromo-N-carbamoylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-carbamoylbenzamide
PubChem CID114375953
Molecular FormulaC8H6Br2N2O2
Molecular Weight321.96 g/mol
Exact Mass319.88
IUPAC Name2,5-dibromo-N-carbamoylbenzamide
SMILESNC(=O)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C8H6Br2N2O2/c9-4-1-2-6(10)5(3-4)7(13)12-8(11)14/h1-3H,(H3,11,12,13,14)
InChIKeyQSZVUKGHCMJYHG-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.96
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-carbamoylbenzamide
CID 107941660
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 114375212
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 114368106
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
CID 114369521
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-carbamoylbenzamide?
The IUPAC name of 2,5-dibromo-N-carbamoylbenzamide (CID 114375953) is 2,5-dibromo-N-carbamoylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-carbamoylbenzamide?
The canonical SMILES for 2,5-dibromo-N-carbamoylbenzamide is NC(=O)NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-carbamoylbenzamide?
The InChIKey is QSZVUKGHCMJYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2O2/c9-4-1-2-6(10)5(3-4)7(13)12-8(11)14/h1-3H,(H3,11,12,13,14).
What are the key properties of 2,5-dibromo-N-carbamoylbenzamide?
2,5-dibromo-N-carbamoylbenzamide has a molecular weight of 321.96 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-carbamoylbenzamide is sourced from PubChem (CID 114375953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).