5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide

C20H20FN5O — CID 71627322

IUPAC5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2cc(F)c(C#N)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H20FN5O/c1-25-8-9-26(2)19(13-25)24-18-11-17(21)14(12-22)10-16(18)20(27)23-15-6-4-3-5-7-15/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,27)/b24-19-
InChIKeyLAHSLFBEBUFIMG-CLCOLTQESA-N
MW365.41 g/mol
LogP2.86
Rot. Bonds3

About 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide

5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide (PubChem CID 71627322) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide.

Molecular Properties

Compound Name5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide
PubChem CID71627322
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2cc(F)c(C#N)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H20FN5O/c1-25-8-9-26(2)19(13-25)24-18-11-17(21)14(12-22)10-16(18)20(27)23-15-6-4-3-5-7-15/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,27)/b24-19-
InChIKeyLAHSLFBEBUFIMG-CLCOLTQESA-N
XLogP2.86
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
4(3H)-Quinazolinone, 2-((4-methyl-1-piperazinyl)methyl)-
CID 135481900
N-(2,4-dimethylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 975079
2-{[(4-fluorobenzyl)amino]methyl}-3-(4-methylphenyl)-4(3H)-quinazolinone
CID 991510
2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429226
N-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788940
N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)decanamide
CID 4324393
N-(1-(3-(4-Cyanophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(2-(dimethylamino)ethyl)decanamide
CID 11386761
{2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]phenyl}(1-piperidinyl)methanone
CID 22493231

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide?
The IUPAC name of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide (CID 71627322) is 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide.
What is the SMILES notation for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide?
The canonical SMILES for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide is CN1CCN(C)/C(=N\c2cc(F)c(C#N)cc2C(=O)Nc2ccccc2)C1.
What is the InChIKey of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide?
The InChIKey is LAHSLFBEBUFIMG-CLCOLTQESA-N. The full InChI is InChI=1S/C20H20FN5O/c1-25-8-9-26(2)19(13-25)24-18-11-17(21)14(12-22)10-16(18)20(27)23-15-6-4-3-5-7-15/h3-7,10-11H,8-9,13H2,1-2H3,(H,23,27)/b24-19-.
What are the key properties of 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide?
5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide has a molecular weight of 365.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4-fluoro-N-phenylbenzamide is sourced from PubChem (CID 71627322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).