N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide

C17H14ClN3O — CID 17080178

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)11-19-20-17(22)12-21-10-9-14-3-1-2-4-16(14)21/h1-11H,12H2,(H,20,22)/b19-11+
InChIKeyISXDGVCROVQVRA-YBFXNURJSA-N
MW311.77 g/mol
LogP3.44
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide (PubChem CID 17080178) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
PubChem CID17080178
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)11-19-20-17(22)12-21-10-9-14-3-1-2-4-16(14)21/h1-11H,12H2,(H,20,22)/b19-11+
InChIKeyISXDGVCROVQVRA-YBFXNURJSA-N
XLogP3.44
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.44
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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Related Compounds

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 6284969
N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 5150836
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10712561
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
CID 71515235
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6864192

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide (CID 17080178) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide?
The InChIKey is ISXDGVCROVQVRA-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)11-19-20-17(22)12-21-10-9-14-3-1-2-4-16(14)21/h1-11H,12H2,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide has a molecular weight of 311.77 g/mol, XLogP of 3.44, 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-indol-1-ylacetamide is sourced from PubChem (CID 17080178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).