3-(2-bromoanilino)-N-prop-2-enylpropanamide

C12H15BrN2O — CID 109011948

IUPAC3-(2-bromoanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNc1ccccc1Br
InChIInChI=1S/C12H15BrN2O/c1-2-8-15-12(16)7-9-14-11-6-4-3-5-10(11)13/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyLWQYYCNMDXNQBP-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.55
Rot. Bonds6

About 3-(2-bromoanilino)-N-prop-2-enylpropanamide

3-(2-bromoanilino)-N-prop-2-enylpropanamide (PubChem CID 109011948) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-prop-2-enylpropanamide
PubChem CID109011948
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-(2-bromoanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNc1ccccc1Br
InChIInChI=1S/C12H15BrN2O/c1-2-8-15-12(16)7-9-14-11-6-4-3-5-10(11)13/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyLWQYYCNMDXNQBP-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoanilino)-3-prop-2-enylurea
CID 19762168
3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 109021435
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
ethyl 4-[3-(2-bromoanilino)propanoyl]piperazine-1-carboxylate
CID 109029092
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
5-(2-bromoanilino)pentanoic acid
CID 28972032

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(2-bromoanilino)-N-prop-2-enylpropanamide (CID 109011948) is 3-(2-bromoanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCNc1ccccc1Br.
What is the InChIKey of 3-(2-bromoanilino)-N-prop-2-enylpropanamide?
The InChIKey is LWQYYCNMDXNQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-8-15-12(16)7-9-14-11-6-4-3-5-10(11)13/h2-6,14H,1,7-9H2,(H,15,16).
What are the key properties of 3-(2-bromoanilino)-N-prop-2-enylpropanamide?
3-(2-bromoanilino)-N-prop-2-enylpropanamide has a molecular weight of 283.17 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 109011948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).