N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide

C23H29FN4O2 — CID 78900100

IUPACN-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)CNC(=O)c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C23H29FN4O2/c1-2-27-10-12-28(13-11-27)17-19-8-6-18(7-9-19)15-25-22(29)16-26-23(30)20-4-3-5-21(24)14-20/h3-9,14H,2,10-13,15-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyZQGYPGVGEFVRTF-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.01
Rot. Bonds8

About N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78900100) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID78900100
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)CNC(=O)c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C23H29FN4O2/c1-2-27-10-12-28(13-11-27)17-19-8-6-18(7-9-19)15-25-22(29)16-26-23(30)20-4-3-5-21(24)14-20/h3-9,14H,2,10-13,15-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyZQGYPGVGEFVRTF-UHFFFAOYSA-N
XLogP2.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;trihydrochloride
CID 119901627
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 24595815
3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
CID 30293608
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
N-(1-ethyl-4-methylpiperidin-4-yl)-3-fluorobenzamide
CID 146322467
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
2-chloro-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]quinoline-6-carboxamide
CID 55841102
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide (CID 78900100) is N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide is CCN1CCN(Cc2ccc(CNC(=O)CNC(=O)c3cccc(F)c3)cc2)CC1.
What is the InChIKey of N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is ZQGYPGVGEFVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-2-27-10-12-28(13-11-27)17-19-8-6-18(7-9-19)15-25-22(29)16-26-23(30)20-4-3-5-21(24)14-20/h3-9,14H,2,10-13,15-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 412.51 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78900100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).