(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide

C18H26BrFN2O2 — CID 95156509

IUPAC(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
SMILESCCCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1
InChIInChI=1S/C18H26BrFN2O2/c1-3-4-9-22-10-7-15(8-11-22)21-18(23)13(2)24-17-6-5-14(19)12-16(17)20/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyRJKYKQFNLVINAN-CYBMUJFWSA-N
MW401.32 g/mol
LogP3.74
Rot. Bonds7

About (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide

(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide (PubChem CID 95156509) has the molecular formula C18H26BrFN2O2 and a molecular weight of 401.32 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
PubChem CID95156509
Molecular FormulaC18H26BrFN2O2
Molecular Weight401.32 g/mol
Exact Mass400.12
IUPAC Name(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
SMILESCCCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1
InChIInChI=1S/C18H26BrFN2O2/c1-3-4-9-22-10-7-15(8-11-22)21-18(23)13(2)24-17-6-5-14(19)12-16(17)20/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyRJKYKQFNLVINAN-CYBMUJFWSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
(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
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
CID 78932641
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
(2S)-2-(2-bromo-4-chlorophenoxy)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 94150133
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide (CID 95156509) is (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide is CCCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1.
What is the InChIKey of (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide?
The InChIKey is RJKYKQFNLVINAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26BrFN2O2/c1-3-4-9-22-10-7-15(8-11-22)21-18(23)13(2)24-17-6-5-14(19)12-16(17)20/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide?
(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95156509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).