(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide

C16H13BrN2O2 — CID 19183908

IUPAC(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)o1)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H13BrN2O2/c17-15-7-6-14(21-15)10-13(11-18)16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,20)/b13-10-
InChIKeyGNAWSMKHAITPRV-RAXLEYEMSA-N
MW345.20 g/mol
LogP3.31
Rot. Bonds5

About (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide

(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide (PubChem CID 19183908) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
PubChem CID19183908
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(Br)o1)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H13BrN2O2/c17-15-7-6-14(21-15)10-13(11-18)16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,20)/b13-10-
InChIKeyGNAWSMKHAITPRV-RAXLEYEMSA-N
XLogP3.31
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 5191792
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 1189790
2-cyano-N-(2-phenylethyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 1178610
(E)-2-benzoyl-3-(5-bromofuran-2-yl)prop-2-enenitrile
CID 13327668
(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 1136023
3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 1178608
(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218
N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4105918
methyl 4-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]benzoate
CID 2892674
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(Z)-3-(4-bromophenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126240561
(Z)-2-cyano-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183864

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide (CID 19183908) is (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C/c1ccc(Br)o1)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is GNAWSMKHAITPRV-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-15-7-6-14(21-15)10-13(11-18)16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,20)/b13-10-.
What are the key properties of (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
(Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 345.20 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-bromofuran-2-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 19183908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).