2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide

C11H14BrN3O2 — CID 26505810

IUPAC2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-2-13-11(17)15-10(16)7-14-9-5-3-4-8(12)6-9/h3-6,14H,2,7H2,1H3,(H2,13,15,16,17)
InChIKeyLQBKWIFBEWCZEC-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.71
Rot. Bonds4

About 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide

2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide (PubChem CID 26505810) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
PubChem CID26505810
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-2-13-11(17)15-10(16)7-14-9-5-3-4-8(12)6-9/h3-6,14H,2,7H2,1H3,(H2,13,15,16,17)
InChIKeyLQBKWIFBEWCZEC-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

Analyze 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
methyl 4-[[2-(3-bromoanilino)acetyl]amino]benzoate
CID 603629
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide (CID 26505810) is 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CNc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide?
The InChIKey is LQBKWIFBEWCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-13-11(17)15-10(16)7-14-9-5-3-4-8(12)6-9/h3-6,14H,2,7H2,1H3,(H2,13,15,16,17).
What are the key properties of 2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide?
2-(3-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-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 26505810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).