1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine

C17H15ClN2O3 — CID 56629605

IUPAC1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine
SMILESO=[N+]([O-])c1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,19H,3-4,11H2
InChIKeyRKENRTQZYFKKGC-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.47
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine

1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine (PubChem CID 56629605) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine
PubChem CID56629605
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine
SMILESO=[N+]([O-])c1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,19H,3-4,11H2
InChIKeyRKENRTQZYFKKGC-UHFFFAOYSA-N
XLogP4.47
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine (CID 56629605) is 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine is O=[N+]([O-])c1ccc(CONC(=C2CC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine?
The InChIKey is RKENRTQZYFKKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,19H,3-4,11H2.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine?
1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine has a molecular weight of 330.77 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropylidene-N-[(4-nitrophenyl)methoxy]methanamine is sourced from PubChem (CID 56629605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).