(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

C19H13ClN2O4 — CID 1352458

IUPAC(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H13ClN2O4/c20-14-4-2-5-15(12-14)21-19(23)10-8-17-7-9-18(26-17)13-3-1-6-16(11-13)22(24)25/h1-12H,(H,21,23)/b10-8+
InChIKeyCMQZWAPVUYQGTQ-CSKARUKUSA-N
MW368.78 g/mol
LogP5.16
Rot. Bonds5

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

(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 1352458) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID1352458
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H13ClN2O4/c20-14-4-2-5-15(12-14)21-19(23)10-8-17-7-9-18(26-17)13-3-1-6-16(11-13)22(24)25/h1-12H,(H,21,23)/b10-8+
InChIKeyCMQZWAPVUYQGTQ-CSKARUKUSA-N
XLogP5.16
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.78
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (CID 1352458) is (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is CMQZWAPVUYQGTQ-CSKARUKUSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c20-14-4-2-5-15(12-14)21-19(23)10-8-17-7-9-18(26-17)13-3-1-6-16(11-13)22(24)25/h1-12H,(H,21,23)/b10-8+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 368.78 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 1352458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).