2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide

C11H14BrN3O2 — CID 42069173

IUPAC2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNc1ccccc1Br
InChIInChI=1S/C11H14BrN3O2/c1-2-13-11(17)15-10(16)7-14-9-6-4-3-5-8(9)12/h3-6,14H,2,7H2,1H3,(H2,13,15,16,17)
InChIKeyTUYLBFANTAZNOO-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.71
Rot. Bonds4

About 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide

2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide (PubChem CID 42069173) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
PubChem CID42069173
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNc1ccccc1Br
InChIInChI=1S/C11H14BrN3O2/c1-2-13-11(17)15-10(16)7-14-9-6-4-3-5-8(9)12/h3-6,14H,2,7H2,1H3,(H2,13,15,16,17)
InChIKeyTUYLBFANTAZNOO-UHFFFAOYSA-N
XLogP1.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
CID 42069187
2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
CID 42068134
2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
CID 61166790
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide (CID 42069173) is 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CNc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide?
The InChIKey is TUYLBFANTAZNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-13-11(17)15-10(16)7-14-9-6-4-3-5-8(9)12/h3-6,14H,2,7H2,1H3,(H2,13,15,16,17).
What are the key properties of 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide?
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide has a molecular weight of 300.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 42069173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).