2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide

C12H14BrN3O2 — CID 7492415

IUPAC2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2/c1-2-7-14-12(18)16-11(17)8-15-10-5-3-9(13)4-6-10/h2-6,15H,1,7-8H2,(H2,14,16,17,18)
InChIKeyGDQDPBQWWHTUOG-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide

2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 7492415) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID7492415
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2/c1-2-7-14-12(18)16-11(17)8-15-10-5-3-9(13)4-6-10/h2-6,15H,1,7-8H2,(H2,14,16,17,18)
InChIKeyGDQDPBQWWHTUOG-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)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

4-bromo-2-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 115381756
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 112775024
2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
2-(4-bromoanilino)acetic acid
CID 6917281
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840232
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide (CID 7492415) is 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is GDQDPBQWWHTUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-2-7-14-12(18)16-11(17)8-15-10-5-3-9(13)4-6-10/h2-6,15H,1,7-8H2,(H2,14,16,17,18).
What are the key properties of 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide?
2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 312.17 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 7492415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).