(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

C21H17ClF2N2O3 — CID 155669175

IUPAC(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C21H17ClF2N2O3/c1-13(21(27)26(2)19-6-4-3-5-17(19)23)28-15-7-9-16(10-8-15)29-20-18(24)11-14(22)12-25-20/h3-13H,1-2H3/t13-/m1/s1
InChIKeyKNCVIELGJLRVPT-CYBMUJFWSA-N
MW418.83 g/mol
LogP5.24
Rot. Bonds6

About (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide (PubChem CID 155669175) has the molecular formula C21H17ClF2N2O3 and a molecular weight of 418.83 g/mol. Its IUPAC name is (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
PubChem CID155669175
Molecular FormulaC21H17ClF2N2O3
Molecular Weight418.83 g/mol
Exact Mass418.09
IUPAC Name(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C21H17ClF2N2O3/c1-13(21(27)26(2)19-6-4-3-5-17(19)23)28-15-7-9-16(10-8-15)29-20-18(24)11-14(22)12-25-20/h3-13H,1-2H3/t13-/m1/s1
InChIKeyKNCVIELGJLRVPT-CYBMUJFWSA-N
XLogP5.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.83
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide with MolForge

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Related Compounds

CID 67929203
CID 67929203
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
CID 141423423
ethynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 139247839
N-(3-chloro-2-pyridinyl)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide
CID 175078342
(2-ethoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54054161
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 141423376
(2-butoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54012610
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)-N-ethylpropanamide
CID 141423385
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide (CID 155669175) is (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide is C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)N(C)c1ccccc1F.
What is the InChIKey of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide?
The InChIKey is KNCVIELGJLRVPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3/c1-13(21(27)26(2)19-6-4-3-5-17(19)23)28-15-7-9-16(10-8-15)29-20-18(24)11-14(22)12-25-20/h3-13H,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide?
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide has a molecular weight of 418.83 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 155669175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).