(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C18H15ClN2O2 — CID 6298579

IUPAC(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN2O2/c1-11-8-16(11)17-7-6-15(23-17)9-12(10-20)18(22)21-14-4-2-13(19)3-5-14/h2-7,9,11,16H,8H2,1H3,(H,21,22)/b12-9+
InChIKeyPEVXRDFALRLARI-FMIVXFBMSA-N
MW326.78 g/mol
LogP4.60
Rot. Bonds4

About (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 6298579) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID6298579
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN2O2/c1-11-8-16(11)17-7-6-15(23-17)9-12(10-20)18(22)21-14-4-2-13(19)3-5-14/h2-7,9,11,16H,8H2,1H3,(H,21,22)/b12-9+
InChIKeyPEVXRDFALRLARI-FMIVXFBMSA-N
XLogP4.60
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.60
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

(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 729147
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
CID 738823
(2E)-N-(3-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738825
(2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
CID 1527371
(E)-N-(2-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 5774261
(E)-2-Cyano-N-(2,5-dichlorophenyl)-3-(5-(2-methylcyclopropyl)furan-2-yl)acrylamide
CID 5845751
(E)-2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 6079942
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide
CID 1106185
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1924483

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 6298579) is (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is PEVXRDFALRLARI-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-8-16(11)17-7-6-15(23-17)9-12(10-20)18(22)21-14-4-2-13(19)3-5-14/h2-7,9,11,16H,8H2,1H3,(H,21,22)/b12-9+.
What are the key properties of (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 326.78 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 6298579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).