2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide

C12H15BrN2O — CID 115919828

IUPAC2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-2-7-15-12(16)9-14-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyNGTQODYGMGQOPF-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.84
Rot. Bonds6

About 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide

2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide (PubChem CID 115919828) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
PubChem CID115919828
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-2-7-15-12(16)9-14-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyNGTQODYGMGQOPF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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

N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
CID 108992941
2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
CID 115919826
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
CID 54957107
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
CID 108992943
2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]-N-prop-2-enylacetamide
CID 56790493
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
2-(4-bromoanilino)-N-(prop-2-enylcarbamoyl)acetamide
CID 7492415
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide (CID 115919828) is 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide?
The InChIKey is NGTQODYGMGQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-7-15-12(16)9-14-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16).
What are the key properties of 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide?
2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide has a molecular weight of 283.17 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 115919828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).