2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid

C11H13BrN2O3 — CID 82798099

IUPAC2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-2-14(6-10(15)16)9-4-3-7(11(13)17)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyLCZFNBRFKWZJLL-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.46
Rot. Bonds5

About 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid

2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid (PubChem CID 82798099) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
PubChem CID82798099
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-2-14(6-10(15)16)9-4-3-7(11(13)17)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyLCZFNBRFKWZJLL-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107425014
2-[2-bromo-4-carbamoyl-N-(2-methylpropyl)anilino]acetic acid
CID 82797152
3-(2-bromo-4-carbamoyl-N-ethylanilino)-2-methylpropanoic acid
CID 82798469
2-[2-bromo-4-carbamoyl-N-(2,2,2-trifluoroethyl)anilino]acetic acid
CID 82797977
4-[(4-aminophenyl)methyl-ethylamino]-3-bromobenzamide
CID 82789748
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982
2-[5-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135370
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
3-bromo-4-[ethyl(2-methylpropyl)amino]benzoic acid
CID 82800459
3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid
CID 61009879
4-[2-aminoethyl(benzyl)amino]-3-bromobenzamide
CID 106511828
1-[3-bromo-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 62908808

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid?
The IUPAC name of 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid (CID 82798099) is 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid.
What is the SMILES notation for 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid?
The canonical SMILES for 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid is CCN(CC(=O)O)c1ccc(C(N)=O)cc1Br.
What is the InChIKey of 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid?
The InChIKey is LCZFNBRFKWZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-2-14(6-10(15)16)9-4-3-7(11(13)17)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid?
2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid has a molecular weight of 301.14 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid is sourced from PubChem (CID 82798099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).