2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide

C20H29F2N3O3 — CID 154756269

IUPAC2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
SMILESCN1CCN(CCOc2ccccc2NC(=O)C(F)(F)C2(O)CCCC2)CC1
InChIInChI=1S/C20H29F2N3O3/c1-24-10-12-25(13-11-24)14-15-28-17-7-3-2-6-16(17)23-18(26)20(21,22)19(27)8-4-5-9-19/h2-3,6-7,27H,4-5,8-15H2,1H3,(H,23,26)
InChIKeyYTQHZGGVRYKGEA-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.19
Rot. Bonds7

About 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide

2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide (PubChem CID 154756269) has the molecular formula C20H29F2N3O3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
PubChem CID154756269
Molecular FormulaC20H29F2N3O3
Molecular Weight397.47 g/mol
Exact Mass397.22
IUPAC Name2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
SMILESCN1CCN(CCOc2ccccc2NC(=O)C(F)(F)C2(O)CCCC2)CC1
InChIInChI=1S/C20H29F2N3O3/c1-24-10-12-25(13-11-24)14-15-28-17-7-3-2-6-16(17)23-18(26)20(21,22)19(27)8-4-5-9-19/h2-3,6-7,27H,4-5,8-15H2,1H3,(H,23,26)
InChIKeyYTQHZGGVRYKGEA-UHFFFAOYSA-N
XLogP2.19
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxamide
CID 166381252
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
CID 71878336
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 134110162
[2-methoxy-1-(4-methylpiperazin-1-yl)ethyl] N-(2-propoxyphenyl)carbamate
CID 101026122
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 166210291
7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 166221366
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
(E)-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102804
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide (CID 154756269) is 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide is CN1CCN(CCOc2ccccc2NC(=O)C(F)(F)C2(O)CCCC2)CC1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide?
The InChIKey is YTQHZGGVRYKGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O3/c1-24-10-12-25(13-11-24)14-15-28-17-7-3-2-6-16(17)23-18(26)20(21,22)19(27)8-4-5-9-19/h2-3,6-7,27H,4-5,8-15H2,1H3,(H,23,26).
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide has a molecular weight of 397.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 154756269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).