2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C17H16FN3O — CID 32896978

IUPAC2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C17H16FN3O/c1-12-2-3-14(8-16(12)18)10-21-17(22)11-20-15-6-4-13(9-19)5-7-15/h2-8,20H,10-11H2,1H3,(H,21,22)
InChIKeyXYEJJJOCRXJSFQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 32896978) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID32896978
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C17H16FN3O/c1-12-2-3-14(8-16(12)18)10-21-17(22)11-20-15-6-4-13(9-19)5-7-15/h2-8,20H,10-11H2,1H3,(H,21,22)
InChIKeyXYEJJJOCRXJSFQ-UHFFFAOYSA-N
XLogP2.73
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanoanilino)acetamide
CID 26437492
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112841618
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
3-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028224
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 32896978) is 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2ccc(C#N)cc2)cc1F.
What is the InChIKey of 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is XYEJJJOCRXJSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12-2-3-14(8-16(12)18)10-21-17(22)11-20-15-6-4-13(9-19)5-7-15/h2-8,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 32896978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).