3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide

C19H14BrNO2 — CID 3913025

IUPAC3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H14BrNO2/c20-18-12-10-15(23-18)11-13-19(22)21-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,21,22)
InChIKeyDKDWROXQHZXNNN-UHFFFAOYSA-N
MW368.23 g/mol
LogP5.36
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide

3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide (PubChem CID 3913025) has the molecular formula C19H14BrNO2 and a molecular weight of 368.23 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
PubChem CID3913025
Molecular FormulaC19H14BrNO2
Molecular Weight368.23 g/mol
Exact Mass367.02
IUPAC Name3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H14BrNO2/c20-18-12-10-15(23-18)11-13-19(22)21-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,21,22)
InChIKeyDKDWROXQHZXNNN-UHFFFAOYSA-N
XLogP5.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.23
LogP ≤ 55.36
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

2-[3-(5-bromofuran-2-yl)prop-2-enoylamino]-6-methylbenzoic acid
CID 77034433
2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-6-fluorobenzoic acid
CID 43442729
(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 43034350
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 78801989
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 2666173
N-[4-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 35865429
(E)-3-(5-bromofuran-2-yl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2309603
(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 107861463
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide (CID 3913025) is 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide is O=C(C=Cc1ccc(Br)o1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
The InChIKey is DKDWROXQHZXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO2/c20-18-12-10-15(23-18)11-13-19(22)21-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,21,22).
What are the key properties of 3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide?
3-(5-bromofuran-2-yl)-N-(2-phenylphenyl)prop-2-enamide has a molecular weight of 368.23 g/mol, XLogP of 5.36, 4 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-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 3913025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).