N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide

C29H23FN4O2 — CID 3654678

IUPACN-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C29H23FN4O2/c30-23-12-14-24(15-13-23)32-29(36)19-34-18-22(26-10-3-4-11-27(26)34)17-31-33-28(35)16-21-8-5-7-20-6-1-2-9-25(20)21/h1-15,17-18H,16,19H2,(H,32,36)(H,33,35)
InChIKeyVCWHFJCWIPEVOX-UHFFFAOYSA-N
MW478.53 g/mol
LogP5.27
Rot. Bonds7

About N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide

N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 3654678) has the molecular formula C29H23FN4O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID3654678
Molecular FormulaC29H23FN4O2
Molecular Weight478.53 g/mol
Exact Mass478.18
IUPAC NameN-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C29H23FN4O2/c30-23-12-14-24(15-13-23)32-29(36)19-34-18-22(26-10-3-4-11-27(26)34)17-31-33-28(35)16-21-8-5-7-20-6-1-2-9-25(20)21/h1-15,17-18H,16,19H2,(H,32,36)(H,33,35)
InChIKeyVCWHFJCWIPEVOX-UHFFFAOYSA-N
XLogP5.27
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 55.27
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'}

Analyze N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126249779
N-[[1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4238897
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 3582277
N-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3834315
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-(4-methylphenyl)acetamide
CID 3309799
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
2-[3-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 2983602
N-benzyl-2-cyano-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide
CID 3801482
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126220780

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide (CID 3654678) is N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is VCWHFJCWIPEVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O2/c30-23-12-14-24(15-13-23)32-29(36)19-34-18-22(26-10-3-4-11-27(26)34)17-31-33-28(35)16-21-8-5-7-20-6-1-2-9-25(20)21/h1-15,17-18H,16,19H2,(H,32,36)(H,33,35).
What are the key properties of N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide?
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 478.53 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3654678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).