N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide

C12H15BrN2O — CID 79285936

IUPACN-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-2-7-14-9-12(16)15-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyFBRLQXXXRNKGCU-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.84
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide

N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285936) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285936
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-2-7-14-9-12(16)15-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyFBRLQXXXRNKGCU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)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

2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78908264
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 78912271
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
CID 108992941

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide (CID 79285936) is N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is FBRLQXXXRNKGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-7-14-9-12(16)15-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide?
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide 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 N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).