N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide

C19H19FN4O — CID 143078875

IUPACN-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
SMILESCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2C#N)CC1
InChIInChI=1S/C19H19FN4O/c1-23-9-11-24(12-10-23)18-4-2-3-17(16(18)13-21)22-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,25)
InChIKeyLMCBAQBEXUSVPJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.70
Rot. Bonds3

About N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide

N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide (PubChem CID 143078875) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
PubChem CID143078875
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
SMILESCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2C#N)CC1
InChIInChI=1S/C19H19FN4O/c1-23-9-11-24(12-10-23)18-4-2-3-17(16(18)13-21)22-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,25)
InChIKeyLMCBAQBEXUSVPJ-UHFFFAOYSA-N
XLogP2.70
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyano-3-[(2-methylbenzoyl)amino]phenyl]piperazine-1-carboxylic acid
CID 18444499
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 23857873
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
tert-butyl 4-[3-[(3-chloro-2-fluorobenzoyl)amino]-2-cyanophenyl]piperazine-1-carboxylate
CID 69114874
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 1194264
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide (CID 143078875) is N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide is CN1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2C#N)CC1.
What is the InChIKey of N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
The InChIKey is LMCBAQBEXUSVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-23-9-11-24(12-10-23)18-4-2-3-17(16(18)13-21)22-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,25).
What are the key properties of N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide?
N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide has a molecular weight of 338.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 143078875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).