2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide

C14H17FN4O — CID 168520629

IUPAC2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(F)cc2NC(=O)CC#N)CC1
InChIInChI=1S/C14H17FN4O/c1-18-6-8-19(9-7-18)13-3-2-11(15)10-12(13)17-14(20)4-5-16/h2-3,10H,4,6-9H2,1H3,(H,17,20)
InChIKeyNCRUFHJAZFYNGN-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.43
Rot. Bonds3

About 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 168520629) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID168520629
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(F)cc2NC(=O)CC#N)CC1
InChIInChI=1S/C14H17FN4O/c1-18-6-8-19(9-7-18)13-3-2-11(15)10-12(13)17-14(20)4-5-16/h2-3,10H,4,6-9H2,1H3,(H,17,20)
InChIKeyNCRUFHJAZFYNGN-UHFFFAOYSA-N
XLogP1.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 56826679
2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 86720900
tert-butyl N-[1-[2-[(2-cyanoacetyl)amino]-4-fluorophenyl]pyrrolidin-3-yl]carbamate
CID 168522528
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
CID 168523631
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea
CID 75377712
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
3-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyethyl)-1-methylurea
CID 56827083
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 168520629) is 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(F)cc2NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is NCRUFHJAZFYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18-6-8-19(9-7-18)13-3-2-11(15)10-12(13)17-14(20)4-5-16/h2-3,10H,4,6-9H2,1H3,(H,17,20).
What are the key properties of 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 276.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168520629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).