(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide

C15H18BrNO — CID 110406396

IUPAC(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide
SMILESCC(C)/C(=C\C(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-10(2)14(9-15(18)17-13-7-8-13)11-3-5-12(16)6-4-11/h3-6,9-10,13H,7-8H2,1-2H3,(H,17,18)/b14-9+
InChIKeyWTAGJSQXZJYVTF-NTEUORMPSA-N
MW308.22 g/mol
LogP3.77
Rot. Bonds4

About (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide

(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide (PubChem CID 110406396) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide
PubChem CID110406396
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide
SMILESCC(C)/C(=C\C(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-10(2)14(9-15(18)17-13-7-8-13)11-3-5-12(16)6-4-11/h3-6,9-10,13H,7-8H2,1-2H3,(H,17,18)/b14-9+
InChIKeyWTAGJSQXZJYVTF-NTEUORMPSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.77
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)-N-cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-methylpent-2-enamide
CID 110406397
(E)-N-(4-acetamidobutyl)-3-(4-bromophenyl)-4-methylpent-2-enamide
CID 110609771
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
CID 110423505
(E)-3-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-4-methylpent-2-enamide
CID 110408198
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-bromo-N-(4-bromocyclohexyl)benzamide
CID 114309063
(E)-5-(4-bromophenyl)-6-methylhept-4-enoic acid
CID 82308149
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
4-bromo-N-cycloheptylbenzamide
CID 2843132

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide (CID 110406396) is (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide is CC(C)/C(=C\C(=O)NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide?
The InChIKey is WTAGJSQXZJYVTF-NTEUORMPSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-10(2)14(9-15(18)17-13-7-8-13)11-3-5-12(16)6-4-11/h3-6,9-10,13H,7-8H2,1-2H3,(H,17,18)/b14-9+.
What are the key properties of (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide?
(E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide has a molecular weight of 308.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-cyclopropyl-4-methylpent-2-enamide is sourced from PubChem (CID 110406396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).