2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

C21H23F2N3O3 — CID 24596002

IUPAC2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H23F2N3O3/c1-29-17-5-2-15(3-6-17)14-25-8-10-26(11-9-25)20(27)13-24-21(28)18-7-4-16(22)12-19(18)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)
InChIKeyNOFQRZCRQNBHPC-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.05
Rot. Bonds6

About 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 24596002) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID24596002
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H23F2N3O3/c1-29-17-5-2-15(3-6-17)14-25-8-10-26(11-9-25)20(27)13-24-21(28)18-7-4-16(22)12-19(18)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)
InChIKeyNOFQRZCRQNBHPC-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55550622
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 51192228
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 24620157
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662
2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 134036254
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 24595815
N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 9077292
2,4-difluoro-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 24598993
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 24596002) is 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is COc1ccc(CN2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is NOFQRZCRQNBHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-29-17-5-2-15(3-6-17)14-25-8-10-26(11-9-25)20(27)13-24-21(28)18-7-4-16(22)12-19(18)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,28).
What are the key properties of 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24596002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).