2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide

C10H9BrN4O2 — CID 107798022

IUPAC2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
SMILESN#Cc1ccc(Br)cc1NCC(=O)NC(N)=O
InChIInChI=1S/C10H9BrN4O2/c11-7-2-1-6(4-12)8(3-7)14-5-9(16)15-10(13)17/h1-3,14H,5H2,(H3,13,15,16,17)
InChIKeyXQMPLQYJZRGTNC-UHFFFAOYSA-N
MW297.11 g/mol
LogP0.93
Rot. Bonds3

About 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide

2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide (PubChem CID 107798022) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
PubChem CID107798022
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
SMILESN#Cc1ccc(Br)cc1NCC(=O)NC(N)=O
InChIInChI=1S/C10H9BrN4O2/c11-7-2-1-6(4-12)8(3-7)14-5-9(16)15-10(13)17/h1-3,14H,5H2,(H3,13,15,16,17)
InChIKeyXQMPLQYJZRGTNC-UHFFFAOYSA-N
XLogP0.93
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
CID 114901468
2-(5-bromo-2-cyanoanilino)-N-(2-cyanoethyl)acetamide
CID 107797867
2-(5-bromo-2-cyanoanilino)-N-(2-methylpropyl)acetamide
CID 114902151
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylacetamide
CID 107797820
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
3-(5-bromo-2-cyanoanilino)propanoic acid
CID 114900871
2-amino-3-(5-bromo-2-cyanoanilino)propanoic acid
CID 107799360
2-(5-bromo-2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107797925
2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
CID 114901722
3-(5-bromo-2-cyanoanilino)-N,2,2-trimethylpropanamide
CID 114167373
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-(2-aminoethylamino)-4-bromobenzonitrile;hydrochloride
CID 155894207

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide?
The IUPAC name of 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide (CID 107798022) is 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide.
What is the SMILES notation for 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide?
The canonical SMILES for 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide is N#Cc1ccc(Br)cc1NCC(=O)NC(N)=O.
What is the InChIKey of 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide?
The InChIKey is XQMPLQYJZRGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-7-2-1-6(4-12)8(3-7)14-5-9(16)15-10(13)17/h1-3,14H,5H2,(H3,13,15,16,17).
What are the key properties of 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide?
2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide has a molecular weight of 297.11 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide is sourced from PubChem (CID 107798022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).