4-[(E)-2-bromoethenyl]-N-methylbenzamide

C10H10BrNO — CID 165471194

IUPAC4-[(E)-2-bromoethenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(/C=C/Br)cc1
InChIInChI=1S/C10H10BrNO/c1-12-10(13)9-4-2-8(3-5-9)6-7-11/h2-7H,1H3,(H,12,13)/b7-6+
InChIKeyTUYNDRXIZVFHLH-VOTSOKGWSA-N
MW240.10 g/mol
LogP2.41
Rot. Bonds2

About 4-[(E)-2-bromoethenyl]-N-methylbenzamide

4-[(E)-2-bromoethenyl]-N-methylbenzamide (PubChem CID 165471194) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 4-[(E)-2-bromoethenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(E)-2-bromoethenyl]-N-methylbenzamide
PubChem CID165471194
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name4-[(E)-2-bromoethenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(/C=C/Br)cc1
InChIInChI=1S/C10H10BrNO/c1-12-10(13)9-4-2-8(3-5-9)6-7-11/h2-7H,1H3,(H,12,13)/b7-6+
InChIKeyTUYNDRXIZVFHLH-VOTSOKGWSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(E)-2-[4-(methylcarbamoyl)phenyl]ethenyl]benzoic acid
CID 134941403
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
N-methylbenzamide
CID 11954
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
methyl (2R)-2-[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]-2-phenylpropanoate
CID 95154860
methyl (2S)-2-[[(Z)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]-2-phenylpropanoate
CID 97464326
4-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557826
4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034315
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-bromoethenyl]-N-methylbenzamide?
The IUPAC name of 4-[(E)-2-bromoethenyl]-N-methylbenzamide (CID 165471194) is 4-[(E)-2-bromoethenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(E)-2-bromoethenyl]-N-methylbenzamide?
The canonical SMILES for 4-[(E)-2-bromoethenyl]-N-methylbenzamide is CNC(=O)c1ccc(/C=C/Br)cc1.
What is the InChIKey of 4-[(E)-2-bromoethenyl]-N-methylbenzamide?
The InChIKey is TUYNDRXIZVFHLH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-10(13)9-4-2-8(3-5-9)6-7-11/h2-7H,1H3,(H,12,13)/b7-6+.
What are the key properties of 4-[(E)-2-bromoethenyl]-N-methylbenzamide?
4-[(E)-2-bromoethenyl]-N-methylbenzamide has a molecular weight of 240.10 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-bromoethenyl]-N-methylbenzamide is sourced from PubChem (CID 165471194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).