2-(4-bromoanilino)-N-prop-2-enylpropanamide

C12H15BrN2O — CID 43086744

IUPAC2-(4-bromoanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-3-8-14-12(16)9(2)15-11-6-4-10(13)5-7-11/h3-7,9,15H,1,8H2,2H3,(H,14,16)
InChIKeyKTKNZFKTUAQQHI-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-bromoanilino)-N-prop-2-enylpropanamide

2-(4-bromoanilino)-N-prop-2-enylpropanamide (PubChem CID 43086744) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-prop-2-enylpropanamide
PubChem CID43086744
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-(4-bromoanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-3-8-14-12(16)9(2)15-11-6-4-10(13)5-7-11/h3-7,9,15H,1,8H2,2H3,(H,14,16)
InChIKeyKTKNZFKTUAQQHI-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
4-bromo-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 25495143
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773
(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9273864

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-bromoanilino)-N-prop-2-enylpropanamide (CID 43086744) is 2-(4-bromoanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-bromoanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-prop-2-enylpropanamide?
The InChIKey is KTKNZFKTUAQQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-3-8-14-12(16)9(2)15-11-6-4-10(13)5-7-11/h3-7,9,15H,1,8H2,2H3,(H,14,16).
What are the key properties of 2-(4-bromoanilino)-N-prop-2-enylpropanamide?
2-(4-bromoanilino)-N-prop-2-enylpropanamide has a molecular weight of 283.17 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43086744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).