(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C18H19ClFNO2 — CID 8709012

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19ClFNO2/c1-12-11-15(19)5-8-17(12)23-13(2)18(22)21-10-9-14-3-6-16(20)7-4-14/h3-8,11,13H,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyJJIMRGVWIGJUFK-CYBMUJFWSA-N
MW335.81 g/mol
LogP3.91
Rot. Bonds6

About (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 8709012) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID8709012
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19ClFNO2/c1-12-11-15(19)5-8-17(12)23-13(2)18(22)21-10-9-14-3-6-16(20)7-4-14/h3-8,11,13H,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyJJIMRGVWIGJUFK-CYBMUJFWSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7951156
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 8709012) is (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is JJIMRGVWIGJUFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12-11-15(19)5-8-17(12)23-13(2)18(22)21-10-9-14-3-6-16(20)7-4-14/h3-8,11,13H,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 335.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 8709012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).