(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

C19H13Cl2NO2 — CID 21372266

IUPAC(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C19H13Cl2NO2/c20-17-9-8-14(11-18(17)21)22-19(23)16(12-15-7-4-10-24-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)/b16-12+
InChIKeyRBNWMOCRKRRVRZ-FOWTUZBSSA-N
MW358.22 g/mol
LogP5.77
Rot. Bonds4

About (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 21372266) has the molecular formula C19H13Cl2NO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID21372266
Molecular FormulaC19H13Cl2NO2
Molecular Weight358.22 g/mol
Exact Mass357.03
IUPAC Name(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C19H13Cl2NO2/c20-17-9-8-14(11-18(17)21)22-19(23)16(12-15-7-4-10-24-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)/b16-12+
InChIKeyRBNWMOCRKRRVRZ-FOWTUZBSSA-N
XLogP5.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.77
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)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126177677
(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126190947
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 38018309
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1284903
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
3-[(3,4-dichlorophenyl)carbamothioylamino]benzoic acid
CID 17381526
(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 55796584
(Z)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylprop-2-enamide
CID 1290804
N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1128741
N-[(Z)-1-(furan-2-yl)-3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942202

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 21372266) is (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is RBNWMOCRKRRVRZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H13Cl2NO2/c20-17-9-8-14(11-18(17)21)22-19(23)16(12-15-7-4-10-24-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)/b16-12+.
What are the key properties of (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 358.22 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 21372266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).