(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide

C17H15BrN2O3 — CID 24660268

IUPAC(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide
SMILESNC(=O)COc1cccc(NC(=O)/C=C/c2ccccc2Br)c1
InChIInChI=1S/C17H15BrN2O3/c18-15-7-2-1-4-12(15)8-9-17(22)20-13-5-3-6-14(10-13)23-11-16(19)21/h1-10H,11H2,(H2,19,21)(H,20,22)/b9-8+
InChIKeyGEXLGWBOTJDAQO-CMDGGOBGSA-N
MW375.22 g/mol
LogP2.97
Rot. Bonds6

About (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide

(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide (PubChem CID 24660268) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide
PubChem CID24660268
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide
SMILESNC(=O)COc1cccc(NC(=O)/C=C/c2ccccc2Br)c1
InChIInChI=1S/C17H15BrN2O3/c18-15-7-2-1-4-12(15)8-9-17(22)20-13-5-3-6-14(10-13)23-11-16(19)21/h1-10H,11H2,(H2,19,21)(H,20,22)/b9-8+
InChIKeyGEXLGWBOTJDAQO-CMDGGOBGSA-N
XLogP2.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
CID 34830510
methyl 3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]benzoate
CID 26886813
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
(E)-3-(2-bromophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072299
N-[3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]-2-cyanoacetamide
CID 108922817
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-bromo-3-methylphenyl)prop-2-enamide
CID 76854308
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
[3-[[3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929266
(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 55566812

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide (CID 24660268) is (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide is NC(=O)COc1cccc(NC(=O)/C=C/c2ccccc2Br)c1.
What is the InChIKey of (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide?
The InChIKey is GEXLGWBOTJDAQO-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-15-7-2-1-4-12(15)8-9-17(22)20-13-5-3-6-14(10-13)23-11-16(19)21/h1-10H,11H2,(H2,19,21)(H,20,22)/b9-8+.
What are the key properties of (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide?
(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide has a molecular weight of 375.22 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide is sourced from PubChem (CID 24660268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).