N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide

C17H13ClFN3O2 — CID 167527198

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(F)ccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClFN3O2/c18-13-3-1-11(2-4-13)9-20-21-16(23)10-22-15-6-5-14(19)7-12(15)8-17(22)24/h1-7,9H,8,10H2,(H,21,23)/b20-9+
InChIKeyYALGITFAEHKXNP-AWQFTUOYSA-N
MW345.76 g/mol
LogP2.52
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide (PubChem CID 167527198) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
PubChem CID167527198
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
SMILESO=C(CN1C(=O)Cc2cc(F)ccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClFN3O2/c18-13-3-1-11(2-4-13)9-20-21-16(23)10-22-15-6-5-14(19)7-12(15)8-17(22)24/h1-7,9H,8,10H2,(H,21,23)/b20-9+
InChIKeyYALGITFAEHKXNP-AWQFTUOYSA-N
XLogP2.52
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 52.52
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide (CID 167527198) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide is O=C(CN1C(=O)Cc2cc(F)ccc21)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
The InChIKey is YALGITFAEHKXNP-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-13-3-1-11(2-4-13)9-20-21-16(23)10-22-15-6-5-14(19)7-12(15)8-17(22)24/h1-7,9H,8,10H2,(H,21,23)/b20-9+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide has a molecular weight of 345.76 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide is sourced from PubChem (CID 167527198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).