2-bromo-5-(dimethylcarbamoylamino)benzoic acid

C10H11BrN2O3 — CID 115295927

IUPAC2-bromo-5-(dimethylcarbamoylamino)benzoic acid
SMILESCN(C)C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C10H11BrN2O3/c1-13(2)10(16)12-6-3-4-8(11)7(5-6)9(14)15/h3-5H,1-2H3,(H,12,16)(H,14,15)
InChIKeyZRCJEGCCEUNPTR-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.24
Rot. Bonds2

About 2-bromo-5-(dimethylcarbamoylamino)benzoic acid

2-bromo-5-(dimethylcarbamoylamino)benzoic acid (PubChem CID 115295927) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-bromo-5-(dimethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(dimethylcarbamoylamino)benzoic acid
PubChem CID115295927
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-bromo-5-(dimethylcarbamoylamino)benzoic acid
SMILESCN(C)C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C10H11BrN2O3/c1-13(2)10(16)12-6-3-4-8(11)7(5-6)9(14)15/h3-5H,1-2H3,(H,12,16)(H,14,15)
InChIKeyZRCJEGCCEUNPTR-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
2-bromo-5-[[butan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113281206
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 115296693
2-bromo-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]benzoic acid
CID 115296752
2-bromo-5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]benzoic acid
CID 115296972
2-bromo-5-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]benzoic acid
CID 115296982
2-bromo-5-(2-methylpropanoylamino)benzoic acid
CID 115295746
2-bromo-5-(2,2-dimethylpropanoylamino)benzoic acid
CID 115295714
2-bromo-5-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296697
2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945
2-bromo-5-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 115296787
2-bromo-5-(prop-2-ynoylamino)benzoic acid
CID 115295796

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dimethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-bromo-5-(dimethylcarbamoylamino)benzoic acid (CID 115295927) is 2-bromo-5-(dimethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-bromo-5-(dimethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-bromo-5-(dimethylcarbamoylamino)benzoic acid is CN(C)C(=O)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-(dimethylcarbamoylamino)benzoic acid?
The InChIKey is ZRCJEGCCEUNPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-13(2)10(16)12-6-3-4-8(11)7(5-6)9(14)15/h3-5H,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-bromo-5-(dimethylcarbamoylamino)benzoic acid?
2-bromo-5-(dimethylcarbamoylamino)benzoic acid has a molecular weight of 287.11 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(dimethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 115295927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).