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

C19H21FN4O — CID 71301447

IUPAC2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2ccc(F)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H21FN4O/c1-23-10-11-24(2)18(13-23)22-17-9-8-14(20)12-16(17)19(25)21-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)/b22-18-
InChIKeyJJXBPMRSKCGVTH-PYCFMQQDSA-N
MW340.40 g/mol
LogP2.99
Rot. Bonds3

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

2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide (PubChem CID 71301447) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide
PubChem CID71301447
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2ccc(F)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H21FN4O/c1-23-10-11-24(2)18(13-23)22-17-9-8-14(20)12-16(17)19(25)21-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)/b22-18-
InChIKeyJJXBPMRSKCGVTH-PYCFMQQDSA-N
XLogP2.99
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methaqualone
CID 6292
Afloqualone
CID 2040
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
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CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Azd-6703
CID 11373432
(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
Arborine
CID 63123
Glycosminine
CID 135426527
1-(4-(Aminomethyl)benzoyl)-5'-fluoro-1'H-spiro(piperidine-4,2'-quinazolin)-4'-amine
CID 24894149
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide (CID 71301447) is 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide is CN1CCN(C)/C(=N\c2ccc(F)cc2C(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide?
The InChIKey is JJXBPMRSKCGVTH-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23-10-11-24(2)18(13-23)22-17-9-8-14(20)12-16(17)19(25)21-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)/b22-18-.
What are the key properties of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide?
2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide has a molecular weight of 340.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-5-fluoro-N-phenylbenzamide is sourced from PubChem (CID 71301447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).