(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

C19H17ClN2O3 — CID 9247359

IUPAC(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-11-7-15(11)17-6-4-14(25-17)8-12(10-21)19(23)22-13-3-5-18(24-2)16(20)9-13/h3-6,8-9,11,15H,7H2,1-2H3,(H,22,23)/b12-8+/t11-,15-/m1/s1
InChIKeyVWNQCDFOUZDCMJ-YNAXTPHLSA-N
MW356.81 g/mol
LogP4.61
Rot. Bonds5

About (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (PubChem CID 9247359) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
PubChem CID9247359
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-11-7-15(11)17-6-4-14(25-17)8-12(10-21)19(23)22-13-3-5-18(24-2)16(20)9-13/h3-6,8-9,11,15H,7H2,1-2H3,(H,22,23)/b12-8+/t11-,15-/m1/s1
InChIKeyVWNQCDFOUZDCMJ-YNAXTPHLSA-N
XLogP4.61
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-2-cyano-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 9247310
(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247729
4-[[(E)-2-cyano-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 9247639
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247276
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247277
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247297
(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247343
(E)-3-(4-tert-butylphenyl)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 18225943
(E)-2-cyano-N-(2-ethoxyphenyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247461
(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enamide
CID 7969813
2-cyano-N-(2-fluorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 3798411
(E)-2-cyano-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247241

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (CID 9247359) is (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl.
What is the InChIKey of (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The InChIKey is VWNQCDFOUZDCMJ-YNAXTPHLSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11-7-15(11)17-6-4-14(25-17)8-12(10-21)19(23)22-13-3-5-18(24-2)16(20)9-13/h3-6,8-9,11,15H,7H2,1-2H3,(H,22,23)/b12-8+/t11-,15-/m1/s1.
What are the key properties of (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide has a molecular weight of 356.81 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 9247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).