2-bromo-N-(3-methylphenyl)prop-2-enamide

C10H10BrNO — CID 150882432

IUPAC2-bromo-N-(3-methylphenyl)prop-2-enamide
SMILESC=C(Br)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C10H10BrNO/c1-7-4-3-5-9(6-7)12-10(13)8(2)11/h3-6H,2H2,1H3,(H,12,13)
InChIKeyKWHNZHBBCZTOKS-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.84
Rot. Bonds2

About 2-bromo-N-(3-methylphenyl)prop-2-enamide

2-bromo-N-(3-methylphenyl)prop-2-enamide (PubChem CID 150882432) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylphenyl)prop-2-enamide
PubChem CID150882432
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-bromo-N-(3-methylphenyl)prop-2-enamide
SMILESC=C(Br)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C10H10BrNO/c1-7-4-3-5-9(6-7)12-10(13)8(2)11/h3-6H,2H2,1H3,(H,12,13)
InChIKeyKWHNZHBBCZTOKS-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 169002636
N-(3-methylphenyl)acetamide
CID 10843
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
(2E)-N-(3-methylphenyl)-2-prop-1-en-2-ylpenta-2,4-dienamide
CID 177358783
(E)-2-bromo-4-imino-3-methyl-N-(3-methylphenyl)but-2-enamide
CID 143713446
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
(2E)-2-ethenyl-4-fluoro-N-(3-methylphenyl)penta-2,4-dienamide
CID 143322990
(2E)-3-chloro-2-(1-chloroethenyl)-N-(3-methylphenyl)penta-2,4-dienamide
CID 177358769
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
2-bromo-N-[3-[(E)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 90682190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of 2-bromo-N-(3-methylphenyl)prop-2-enamide (CID 150882432) is 2-bromo-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-bromo-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-bromo-N-(3-methylphenyl)prop-2-enamide is C=C(Br)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-bromo-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is KWHNZHBBCZTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-4-3-5-9(6-7)12-10(13)8(2)11/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(3-methylphenyl)prop-2-enamide?
2-bromo-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 240.10 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 150882432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).