3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

C21H25F2N3O2 — CID 43990737

IUPAC3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(F)c(F)c2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-25-9-11-26(12-10-25)20(15-3-6-17(28-2)7-4-15)14-24-21(27)16-5-8-18(22)19(23)13-16/h3-8,13,20H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyKBVPKYYVNITVII-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.69
Rot. Bonds6

About 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 43990737) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID43990737
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(F)c(F)c2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-25-9-11-26(12-10-25)20(15-3-6-17(28-2)7-4-15)14-24-21(27)16-5-8-18(22)19(23)13-16/h3-8,13,20H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyKBVPKYYVNITVII-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622293
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N'-(2-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670127
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 43990737) is 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is COc1ccc(C(CNC(=O)c2ccc(F)c(F)c2)N2CCN(C)CC2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is KBVPKYYVNITVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-25-9-11-26(12-10-25)20(15-3-6-17(28-2)7-4-15)14-24-21(27)16-5-8-18(22)19(23)13-16/h3-8,13,20H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 389.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 43990737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).