5-bromo-N-carbamoyl-2-methylbenzamide

C9H9BrN2O2 — CID 11971070

IUPAC5-bromo-N-carbamoyl-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(N)=O
InChIInChI=1S/C9H9BrN2O2/c1-5-2-3-6(10)4-7(5)8(13)12-9(11)14/h2-4H,1H3,(H3,11,12,13,14)
InChIKeyLHKZPAAYMMJKON-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.57
Rot. Bonds1

About 5-bromo-N-carbamoyl-2-methylbenzamide

5-bromo-N-carbamoyl-2-methylbenzamide (PubChem CID 11971070) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 5-bromo-N-carbamoyl-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-carbamoyl-2-methylbenzamide
PubChem CID11971070
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name5-bromo-N-carbamoyl-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(N)=O
InChIInChI=1S/C9H9BrN2O2/c1-5-2-3-6(10)4-7(5)8(13)12-9(11)14/h2-4H,1H3,(H3,11,12,13,14)
InChIKeyLHKZPAAYMMJKON-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Urea, (o-bromobenzoyl)-
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CID 20616770
Urea, (m-bromobenzoyl)-
CID 3040256
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5-bromo-N,2-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-carbamoyl-2-methylbenzamide?
The IUPAC name of 5-bromo-N-carbamoyl-2-methylbenzamide (CID 11971070) is 5-bromo-N-carbamoyl-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-carbamoyl-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-carbamoyl-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC(N)=O.
What is the InChIKey of 5-bromo-N-carbamoyl-2-methylbenzamide?
The InChIKey is LHKZPAAYMMJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-5-2-3-6(10)4-7(5)8(13)12-9(11)14/h2-4H,1H3,(H3,11,12,13,14).
What are the key properties of 5-bromo-N-carbamoyl-2-methylbenzamide?
5-bromo-N-carbamoyl-2-methylbenzamide has a molecular weight of 257.09 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-carbamoyl-2-methylbenzamide is sourced from PubChem (CID 11971070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).