2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide

C12H15BrN2O — CID 115745529

IUPAC2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
SMILESC=C(Br)CNCC(=O)Nc1ccccc1C
InChIInChI=1S/C12H15BrN2O/c1-9-5-3-4-6-11(9)15-12(16)8-14-7-10(2)13/h3-6,14H,2,7-8H2,1H3,(H,15,16)
InChIKeyRGTSIVUHELHEMP-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide

2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide (PubChem CID 115745529) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
PubChem CID115745529
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
SMILESC=C(Br)CNCC(=O)Nc1ccccc1C
InChIInChI=1S/C12H15BrN2O/c1-9-5-3-4-6-11(9)15-12(16)8-14-7-10(2)13/h3-6,14H,2,7-8H2,1H3,(H,15,16)
InChIKeyRGTSIVUHELHEMP-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylphenyl)acetamide
CID 115745516
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
CID 66170580
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(2-methylphenyl)acetamide
CID 65111167
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
2-(2-bromoprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745461
2-[[2-(2-methylanilino)-2-oxoethyl]amino]ethyl carbamate
CID 83209981
2-[(2-hydroxy-2-phenylethyl)amino]-N-(2-methylphenyl)acetamide
CID 43389775
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide (CID 115745529) is 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide is C=C(Br)CNCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide?
The InChIKey is RGTSIVUHELHEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9-5-3-4-6-11(9)15-12(16)8-14-7-10(2)13/h3-6,14H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide?
2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide has a molecular weight of 283.17 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 115745529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).