(Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide

C18H11N3O4 — CID 21209388

IUPAC(Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H11N3O4/c19-11-14(10-16-7-8-17(25-16)21(23)24)18(22)20-15-6-5-12-3-1-2-4-13(12)9-15/h1-10H,(H,20,22)/b14-10-
InChIKeyJJQWOUOIKAMJTI-UVTDQMKNSA-N
MW333.30 g/mol
LogP3.89
Rot. Bonds4

About (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide

(Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 21209388) has the molecular formula C18H11N3O4 and a molecular weight of 333.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID21209388
Molecular FormulaC18H11N3O4
Molecular Weight333.30 g/mol
Exact Mass333.07
IUPAC Name(Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H11N3O4/c19-11-14(10-16-7-8-17(25-16)21(23)24)18(22)20-15-6-5-12-3-1-2-4-13(12)9-15/h1-10H,(H,20,22)/b14-10-
InChIKeyJJQWOUOIKAMJTI-UVTDQMKNSA-N
XLogP3.89
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

(Z)-2-cyano-3-(5-nitrofuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126249870
(E)-2-cyano-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 6196994
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 6197154
2-cyano-N-(4-methoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1351131
(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 6286022
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 3517878
(Z)-N-(4-chlorophenyl)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1355038
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 3444299
(Z)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 2213374
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1352963
(E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1351792
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 7025592

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide (CID 21209388) is (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide is N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is JJQWOUOIKAMJTI-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H11N3O4/c19-11-14(10-16-7-8-17(25-16)21(23)24)18(22)20-15-6-5-12-3-1-2-4-13(12)9-15/h1-10H,(H,20,22)/b14-10-.
What are the key properties of (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide?
(Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 333.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 21209388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).