N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide

C19H15ClN2O — CID 9234678

IUPACN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1c2ccccc2c(Cl)c2ccccc12)C1CC1
InChIInChI=1S/C19H15ClN2O/c20-18-15-7-3-1-5-13(15)17(14-6-2-4-8-16(14)18)11-21-22-19(23)12-9-10-12/h1-8,11-12H,9-10H2,(H,22,23)/b21-11-
InChIKeyARYVPGFYKDYHFK-NHDPSOOVSA-N
MW322.80 g/mol
LogP4.51
Rot. Bonds3

About N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide

N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide (PubChem CID 9234678) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
PubChem CID9234678
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC NameN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1c2ccccc2c(Cl)c2ccccc12)C1CC1
InChIInChI=1S/C19H15ClN2O/c20-18-15-7-3-1-5-13(15)17(14-6-2-4-8-16(14)18)11-21-22-19(23)12-9-10-12/h1-8,11-12H,9-10H2,(H,22,23)/b21-11-
InChIKeyARYVPGFYKDYHFK-NHDPSOOVSA-N
XLogP4.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide (CID 9234678) is N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C\c1c2ccccc2c(Cl)c2ccccc12)C1CC1.
What is the InChIKey of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ARYVPGFYKDYHFK-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-18-15-7-3-1-5-13(15)17(14-6-2-4-8-16(14)18)11-21-22-19(23)12-9-10-12/h1-8,11-12H,9-10H2,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide?
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 322.80 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 9234678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).