2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide

C19H18ClN3O — CID 955693

IUPAC2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
SMILESCc1c(C=NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1C
InChIInChI=1S/C19H18ClN3O/c1-13-17(16-5-3-4-6-18(16)23(13)2)12-21-22-19(24)11-14-7-9-15(20)10-8-14/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyGCJXDEJSPDNILN-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide (PubChem CID 955693) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
PubChem CID955693
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
SMILESCc1c(C=NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1C
InChIInChI=1S/C19H18ClN3O/c1-13-17(16-5-3-4-6-18(16)23(13)2)12-21-22-19(24)11-14-7-9-15(20)10-8-14/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyGCJXDEJSPDNILN-UHFFFAOYSA-N
XLogP3.83
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.83
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

2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745
2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126366917
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370835

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide (CID 955693) is 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide is Cc1c(C=NNC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
The InChIKey is GCJXDEJSPDNILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-17(16-5-3-4-6-18(16)23(13)2)12-21-22-19(24)11-14-7-9-15(20)10-8-14/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide has a molecular weight of 339.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).