N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide

C19H18ClN3O2 — CID 6878537

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N/N=C/c1ccccc1Cl)c(C)n2C
InChIInChI=1S/C19H18ClN3O2/c1-12-18(15-10-14(25-3)8-9-17(15)23(12)2)19(24)22-21-11-13-6-4-5-7-16(13)20/h4-11H,1-3H3,(H,22,24)/b21-11+
InChIKeyRTZFQUXZFNYEAC-SRZZPIQSSA-N
MW355.83 g/mol
LogP3.91
Rot. Bonds4

About N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide (PubChem CID 6878537) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide
PubChem CID6878537
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N/N=C/c1ccccc1Cl)c(C)n2C
InChIInChI=1S/C19H18ClN3O2/c1-12-18(15-10-14(25-3)8-9-17(15)23(12)2)19(24)22-21-11-13-6-4-5-7-16(13)20/h4-11H,1-3H3,(H,22,24)/b21-11+
InChIKeyRTZFQUXZFNYEAC-SRZZPIQSSA-N
XLogP3.91
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide (CID 6878537) is N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N/N=C/c1ccccc1Cl)c(C)n2C.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide?
The InChIKey is RTZFQUXZFNYEAC-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-18(15-10-14(25-3)8-9-17(15)23(12)2)19(24)22-21-11-13-6-4-5-7-16(13)20/h4-11H,1-3H3,(H,22,24)/b21-11+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-5-methoxy-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 6878537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).