2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide

C14H18FN3O — CID 115367320

IUPAC2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-4-18(9-14(19)17-10(2)3)12-6-5-11(8-16)13(15)7-12/h5-7,10H,4,9H2,1-3H3,(H,17,19)
InChIKeyHIQSWPHAGQUSDT-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide

2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide (PubChem CID 115367320) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
PubChem CID115367320
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-4-18(9-14(19)17-10(2)3)12-6-5-11(8-16)13(15)7-12/h5-7,10H,4,9H2,1-3H3,(H,17,19)
InChIKeyHIQSWPHAGQUSDT-UHFFFAOYSA-N
XLogP2.05
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-fluoro-4-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551917
2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
CID 115367475
2-[(4-cyanopyridazin-3-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80510292
2-(2-cyano-N-ethyl-4-nitroanilino)-N-propan-2-ylacetamide
CID 78906895
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
4-(dipropylamino)-2-fluorobenzonitrile
CID 115366969
2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
CID 114064086
2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 63076971
N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 112843076
N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide (CID 115367320) is 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(C#N)c(F)c1.
What is the InChIKey of 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide?
The InChIKey is HIQSWPHAGQUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-18(9-14(19)17-10(2)3)12-6-5-11(8-16)13(15)7-12/h5-7,10H,4,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide?
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide has a molecular weight of 263.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 115367320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).