2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide

C14H17BrN2O2 — CID 113173028

IUPAC2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-4-7-16-14(19)9-17(11(3)18)12-6-5-10(2)13(15)8-12/h4-6,8H,1,7,9H2,2-3H3,(H,16,19)
InChIKeyAKDSSNZYTFRVPV-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.41
Rot. Bonds5

About 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide

2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide (PubChem CID 113173028) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
PubChem CID113173028
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-4-7-16-14(19)9-17(11(3)18)12-6-5-10(2)13(15)8-12/h4-6,8H,1,7,9H2,2-3H3,(H,16,19)
InChIKeyAKDSSNZYTFRVPV-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
CID 113169920
2-(N-acetyl-2,6-dimethylanilino)-N-prop-2-enylacetamide
CID 113168626
ethyl 4-[acetyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzoate
CID 113178795
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113173092
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113173097
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide (CID 113173028) is 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide?
The InChIKey is AKDSSNZYTFRVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-4-7-16-14(19)9-17(11(3)18)12-6-5-10(2)13(15)8-12/h4-6,8H,1,7,9H2,2-3H3,(H,16,19).
What are the key properties of 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide?
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide has a molecular weight of 325.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113173028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).