4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide

C15H19BrN2O3 — CID 115699642

IUPAC4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-11(2)10-21-8-7-17-14(19)9-18-15(20)12-3-5-13(16)6-4-12/h3-6H,1,7-10H2,2H3,(H,17,19)(H,18,20)
InChIKeyQNKFWKCBALQEDN-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.89
Rot. Bonds8

About 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide

4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 115699642) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID115699642
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-11(2)10-21-8-7-17-14(19)9-18-15(20)12-3-5-13(16)6-4-12/h3-6H,1,7-10H2,2H3,(H,17,19)(H,18,20)
InChIKeyQNKFWKCBALQEDN-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115699814
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 2118904
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide (CID 115699642) is 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide is C=C(C)COCCNC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is QNKFWKCBALQEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-11(2)10-21-8-7-17-14(19)9-18-15(20)12-3-5-13(16)6-4-12/h3-6H,1,7-10H2,2H3,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 355.23 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115699642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).