4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

C19H24FN3O2 — CID 35674097

IUPAC4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCN(C)CC2)o1
InChIInChI=1S/C19H24FN3O2/c1-14-3-8-18(25-14)17(23-11-9-22(2)10-12-23)13-21-19(24)15-4-6-16(20)7-5-15/h3-8,17H,9-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyPQLQBRYYIKLROO-KRWDZBQOSA-N
MW345.42 g/mol
LogP2.45
Rot. Bonds5

About 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 35674097) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID35674097
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCN(C)CC2)o1
InChIInChI=1S/C19H24FN3O2/c1-14-3-8-18(25-14)17(23-11-9-22(2)10-12-23)13-21-19(24)15-4-6-16(20)7-5-15/h3-8,17H,9-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyPQLQBRYYIKLROO-KRWDZBQOSA-N
XLogP2.45
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052593
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 51628820
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
6-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 95283314

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 35674097) is 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCN(C)CC2)o1.
What is the InChIKey of 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is PQLQBRYYIKLROO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-14-3-8-18(25-14)17(23-11-9-22(2)10-12-23)13-21-19(24)15-4-6-16(20)7-5-15/h3-8,17H,9-13H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 35674097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).