N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide

C17H13F2N3O2 — CID 42991298

IUPACN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1OC(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-15-8-4-1-5-11(15)9-21-22-16(23)13-10-20-14-7-3-2-6-12(13)14/h1-10,17,20H,(H,22,23)/b21-9+
InChIKeyVQNLTZMXUNXXRK-ZVBGSRNCSA-N
MW329.31 g/mol
LogP3.53
Rot. Bonds5

About N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide

N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide (PubChem CID 42991298) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
PubChem CID42991298
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1OC(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13F2N3O2/c18-17(19)24-15-8-4-1-5-11(15)9-21-22-16(23)13-10-20-14-7-3-2-6-12(13)14/h1-10,17,20H,(H,22,23)/b21-9+
InChIKeyVQNLTZMXUNXXRK-ZVBGSRNCSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(trifluoromethoxy)benzamide
CID 135804189
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
CID 2383085

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide (CID 42991298) is N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1ccccc1OC(F)F)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is VQNLTZMXUNXXRK-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-17(19)24-15-8-4-1-5-11(15)9-21-22-16(23)13-10-20-14-7-3-2-6-12(13)14/h1-10,17,20H,(H,22,23)/b21-9+.
What are the key properties of N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 42991298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).