4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide

C19H21F2N3O2 — CID 119445796

IUPAC4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2N3O2/c20-15-3-6-18(17(21)13-15)26-16-4-1-14(2-5-16)19(25)23-9-12-24-10-7-22-8-11-24/h1-6,13,22H,7-12H2,(H,23,25)
InChIKeyICHUHIMSSWYULT-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.39
Rot. Bonds6

About 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide

4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119445796) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119445796
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2N3O2/c20-15-3-6-18(17(21)13-15)26-16-4-1-14(2-5-16)19(25)23-9-12-24-10-7-22-8-11-24/h1-6,13,22H,7-12H2,(H,23,25)
InChIKeyICHUHIMSSWYULT-UHFFFAOYSA-N
XLogP2.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
CID 56788122
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
N-(2-piperazin-1-ylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119448381
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
4-(3,3-dimethylbut-1-enyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 72568757
4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 59811465
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide (CID 119445796) is 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is ICHUHIMSSWYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-15-3-6-18(17(21)13-15)26-16-4-1-14(2-5-16)19(25)23-9-12-24-10-7-22-8-11-24/h1-6,13,22H,7-12H2,(H,23,25).
What are the key properties of 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide?
4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 361.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).