(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide

C14H19ClFNO3 — CID 96532897

IUPAC(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
SMILESCOCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFNO3/c1-9(6-7-19-3)17-14(18)10(2)20-13-5-4-11(16)8-12(13)15/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)/t9-,10+/m0/s1
InChIKeyOGXFEAVBGKQZDQ-VHSXEESVSA-N
MW303.76 g/mol
LogP2.79
Rot. Bonds7

About (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide

(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide (PubChem CID 96532897) has the molecular formula C14H19ClFNO3 and a molecular weight of 303.76 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
PubChem CID96532897
Molecular FormulaC14H19ClFNO3
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
SMILESCOCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFNO3/c1-9(6-7-19-3)17-14(18)10(2)20-13-5-4-11(16)8-12(13)15/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)/t9-,10+/m0/s1
InChIKeyOGXFEAVBGKQZDQ-VHSXEESVSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
(E)-2-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hex-4-enoic acid
CID 120693276
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
CID 3347713
2-[2-(2-chloro-4-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199599
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide (CID 96532897) is (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide is COCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide?
The InChIKey is OGXFEAVBGKQZDQ-VHSXEESVSA-N. The full InChI is InChI=1S/C14H19ClFNO3/c1-9(6-7-19-3)17-14(18)10(2)20-13-5-4-11(16)8-12(13)15/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)/t9-,10+/m0/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide?
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide has a molecular weight of 303.76 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide is sourced from PubChem (CID 96532897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).