N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide

C25H22FN3O — CID 126258425

IUPACN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESCc1c(/C=N/NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H22FN3O/c1-18-23(16-27-28-25(30)15-19-11-13-21(26)14-12-19)22-9-5-6-10-24(22)29(18)17-20-7-3-2-4-8-20/h2-14,16H,15,17H2,1H3,(H,28,30)/b27-16+
InChIKeyWXRQCFODGPGJLX-JVWAILMASA-N
MW399.47 g/mol
LogP4.83
Rot. Bonds6

About N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide

N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 126258425) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID126258425
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESCc1c(/C=N/NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H22FN3O/c1-18-23(16-27-28-25(30)15-19-11-13-21(26)14-12-19)22-9-5-6-10-24(22)29(18)17-20-7-3-2-4-8-20/h2-14,16H,15,17H2,1H3,(H,28,30)/b27-16+
InChIKeyWXRQCFODGPGJLX-JVWAILMASA-N
XLogP4.83
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.83
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

N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126394581
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126366917
N-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 5029475
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1389645
2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856
N-[(E)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-phenylpropanamide
CID 25251479
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 3388547
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide (CID 126258425) is N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide is Cc1c(/C=N/NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is WXRQCFODGPGJLX-JVWAILMASA-N. The full InChI is InChI=1S/C25H22FN3O/c1-18-23(16-27-28-25(30)15-19-11-13-21(26)14-12-19)22-9-5-6-10-24(22)29(18)17-20-7-3-2-4-8-20/h2-14,16H,15,17H2,1H3,(H,28,30)/b27-16+.
What are the key properties of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 399.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 126258425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).