N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide

C12H14BrNO — CID 121009695

IUPACN-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide
SMILESC=C(Br)CN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C12H14BrNO/c1-9-5-4-6-12(7-9)14(11(3)15)8-10(2)13/h4-7H,2,8H2,1,3H3
InChIKeyBUCDBDVJDQIAOY-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.26
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide

N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide (PubChem CID 121009695) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide
PubChem CID121009695
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide
SMILESC=C(Br)CN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C12H14BrNO/c1-9-5-4-6-12(7-9)14(11(3)15)8-10(2)13/h4-7H,2,8H2,1,3H3
InChIKeyBUCDBDVJDQIAOY-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
CID 121012223
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide (CID 121009695) is N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide is C=C(Br)CN(C(C)=O)c1cccc(C)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide?
The InChIKey is BUCDBDVJDQIAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-9-5-4-6-12(7-9)14(11(3)15)8-10(2)13/h4-7H,2,8H2,1,3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide?
N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide has a molecular weight of 268.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 121009695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).