N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide

C18H16ClN3O3 — CID 2018531

IUPACN-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NN=Cc3ccccc3Cl)[nH]c2cc1OC
InChIInChI=1S/C18H16ClN3O3/c1-24-16-8-12-7-15(21-14(12)9-17(16)25-2)18(23)22-20-10-11-5-3-4-6-13(11)19/h3-10,21H,1-2H3,(H,22,23)
InChIKeyPINWTGHQADQQHS-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.60
Rot. Bonds5

About N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide

N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide (PubChem CID 2018531) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
PubChem CID2018531
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NN=Cc3ccccc3Cl)[nH]c2cc1OC
InChIInChI=1S/C18H16ClN3O3/c1-24-16-8-12-7-15(21-14(12)9-17(16)25-2)18(23)22-20-10-11-5-3-4-6-13(11)19/h3-10,21H,1-2H3,(H,22,23)
InChIKeyPINWTGHQADQQHS-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
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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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5161262
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 135651324
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 136792678
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide (CID 2018531) is N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NN=Cc3ccccc3Cl)[nH]c2cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is PINWTGHQADQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-16-8-12-7-15(21-14(12)9-17(16)25-2)18(23)22-20-10-11-5-3-4-6-13(11)19/h3-10,21H,1-2H3,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide?
N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 2018531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).