N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

C15H13BrN2O3 — CID 4820792

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrN2O3/c16-12-5-1-2-6-13(12)18-15(20)10-17-14(19)8-7-11-4-3-9-21-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyLEEURKJYDBJTJS-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 4820792) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID4820792
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrN2O3/c16-12-5-1-2-6-13(12)18-15(20)10-17-14(19)8-7-11-4-3-9-21-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyLEEURKJYDBJTJS-UHFFFAOYSA-N
XLogP2.81
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.81
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-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 25493927
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylpropanamide
CID 55616700
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 6215067
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9426898
N-[2-(2-bromoanilino)-2-oxoethyl]hexa-2,4-dienamide
CID 47101356
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2-bromoanilino)-2-oxoethyl]prop-2-enamide
CID 9440734
(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
CID 40730718
3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 5206140
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 4820792) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is LEEURKJYDBJTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-12-5-1-2-6-13(12)18-15(20)10-17-14(19)8-7-11-4-3-9-21-11/h1-9H,10H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 349.18 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 4820792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).