3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide

C16H14BrNO2 — CID 4811542

IUPAC3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H14BrNO2/c17-15-8-6-14(20-15)7-9-16(19)18-13-5-4-11-2-1-3-12(11)10-13/h4-10H,1-3H2,(H,18,19)
InChIKeyRSVYXWVRMHWKJU-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.18
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide

3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide (PubChem CID 4811542) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
PubChem CID4811542
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H14BrNO2/c17-15-8-6-14(20-15)7-9-16(19)18-13-5-4-11-2-1-3-12(11)10-13/h4-10H,1-3H2,(H,18,19)
InChIKeyRSVYXWVRMHWKJU-UHFFFAOYSA-N
XLogP4.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 2666173
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
(E)-3-(5-bromofuran-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 2313865
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
4-[3-(5-bromofuran-2-yl)prop-2-enoylamino]pyridine-2-carboxylic acid
CID 77003492
(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693671
3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 47093671
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 6212150
(E)-3-(5-bromofuran-2-yl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2309603
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-cyclopropyl-4-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]benzamide
CID 35557202
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide (CID 4811542) is 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide is O=C(C=Cc1ccc(Br)o1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide?
The InChIKey is RSVYXWVRMHWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-15-8-6-14(20-15)7-9-16(19)18-13-5-4-11-2-1-3-12(11)10-13/h4-10H,1-3H2,(H,18,19).
What are the key properties of 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide?
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide is sourced from PubChem (CID 4811542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).