2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide

C14H17FN2O — CID 114291393

IUPAC2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide
SMILESCCN(C(=O)C(C)(C#N)CC)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-4-14(3,10-16)13(18)17(5-2)12-8-6-11(15)7-9-12/h6-9H,4-5H2,1-3H3
InChIKeyRMASYQDWJADNOH-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.12
Rot. Bonds4

About 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide

2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide (PubChem CID 114291393) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide
PubChem CID114291393
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide
SMILESCCN(C(=O)C(C)(C#N)CC)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-4-14(3,10-16)13(18)17(5-2)12-8-6-11(15)7-9-12/h6-9H,4-5H2,1-3H3
InChIKeyRMASYQDWJADNOH-UHFFFAOYSA-N
XLogP3.12
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butylacetanilide
CID 7051
N-Ethyl-N-phenylacetamide
CID 10727
N-Propylacetanilide
CID 17098
1-Cyclopropanecarbonyl-4-(4-fluorophenyl)piperazine
CID 757898
Propionanilide, N-butyl-
CID 94892
Butanamide, N,2-dimethyl-N-phenyl-
CID 163414
N-phenyl-N-(2,2,5-trimethyl-4-hexen-1-yl)acetamide
CID 2053713
Propionanilide, N-isopentyl-
CID 94893
2-Cyano-N-methyl-n-phenylacetamide
CID 12296732
1-(2-Phenyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 3235463
(5Z,8Z,11Z,14Z)-1-(4-(4-fluorophenyl)piperazin-1-yl)icosa-5,8,11,14-tetraen-1-one
CID 44405990
1-(4-Fluorophenyl)-3,3-dimethylazetidin-2-one
CID 1475584

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide (CID 114291393) is 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide is CCN(C(=O)C(C)(C#N)CC)c1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide?
The InChIKey is RMASYQDWJADNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-14(3,10-16)13(18)17(5-2)12-8-6-11(15)7-9-12/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide?
2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide has a molecular weight of 248.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 114291393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).