N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide

C12H15BrN2O — CID 115745377

IUPACN-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O/c1-9(2)7-14-8-12(16)15-11-5-3-4-10(13)6-11/h3-6,14H,1,7-8H2,2H3,(H,15,16)
InChIKeyKGNYTIRCHCRNCJ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.55
Rot. Bonds5

About N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide

N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide (PubChem CID 115745377) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
PubChem CID115745377
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O/c1-9(2)7-14-8-12(16)15-11-5-3-4-10(13)6-11/h3-6,14H,1,7-8H2,2H3,(H,15,16)
InChIKeyKGNYTIRCHCRNCJ-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

N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572652
N-(3-bromophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820248
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide (CID 115745377) is N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide is C=C(C)CNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide?
The InChIKey is KGNYTIRCHCRNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9(2)7-14-8-12(16)15-11-5-3-4-10(13)6-11/h3-6,14H,1,7-8H2,2H3,(H,15,16).
What are the key properties of N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide?
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide 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 N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide is sourced from PubChem (CID 115745377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).