(E)-3-(2-bromophenyl)-N-methylprop-2-enamide

C10H10BrNO — CID 47099867

IUPAC(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C10H10BrNO/c1-12-10(13)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13)/b7-6+
InChIKeyOSGAKKZPIPJROO-VOTSOKGWSA-N
MW240.10 g/mol
LogP2.21
Rot. Bonds2

About (E)-3-(2-bromophenyl)-N-methylprop-2-enamide

(E)-3-(2-bromophenyl)-N-methylprop-2-enamide (PubChem CID 47099867) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
PubChem CID47099867
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C10H10BrNO/c1-12-10(13)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13)/b7-6+
InChIKeyOSGAKKZPIPJROO-VOTSOKGWSA-N
XLogP2.21
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 ≤ 52.21
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

(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
CID 142584939
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
CID 34830510
(E)-3-(2-bromophenyl)-N-(2-ethylsulfonylethyl)prop-2-enamide
CID 51108653
(E)-3-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251
(2R)-2-[3-(2-bromophenyl)prop-2-enoylamino]butanoic acid
CID 79023956
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
1-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-tert-butylthiourea
CID 9425913
methyl 4-[3-(2-bromophenyl)prop-2-enoylamino]benzoate
CID 78777184
diethyl 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]propanedioate
CID 25474462

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-methylprop-2-enamide (CID 47099867) is (E)-3-(2-bromophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-methylprop-2-enamide?
The InChIKey is OSGAKKZPIPJROO-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-10(13)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13)/b7-6+.
What are the key properties of (E)-3-(2-bromophenyl)-N-methylprop-2-enamide?
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide has a molecular weight of 240.10 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 47099867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).