(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide

C16H20Cl2F2N2O2 — CID 52534478

IUPAC(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H20Cl2F2N2O2/c1-10(24-13-4-2-3-12(17)15(13)18)16(23)21-11-5-7-22(8-6-11)9-14(19)20/h2-4,10-11,14H,5-9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyGUUPQKHHCHVHDY-SNVBAGLBSA-N
MW381.25 g/mol
LogP3.61
Rot. Bonds6

About (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide

(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide (PubChem CID 52534478) has the molecular formula C16H20Cl2F2N2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
PubChem CID52534478
Molecular FormulaC16H20Cl2F2N2O2
Molecular Weight381.25 g/mol
Exact Mass380.09
IUPAC Name(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C16H20Cl2F2N2O2/c1-10(24-13-4-2-3-12(17)15(13)18)16(23)21-11-5-7-22(8-6-11)9-14(19)20/h2-4,10-11,14H,5-9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyGUUPQKHHCHVHDY-SNVBAGLBSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
(2S)-2-(2-bromo-4-chlorophenoxy)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 94150133
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94797430
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(2-chlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119387688
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2S)-2-(2,3-dichlorophenoxy)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 38934145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide (CID 52534478) is (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide is C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
The InChIKey is GUUPQKHHCHVHDY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20Cl2F2N2O2/c1-10(24-13-4-2-3-12(17)15(13)18)16(23)21-11-5-7-22(8-6-11)9-14(19)20/h2-4,10-11,14H,5-9H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
(2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide has a molecular weight of 381.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 52534478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).