(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide

C17H17ClN2O4 — CID 8730513

IUPAC(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-10(21)12-6-7-14(15(9-12)23-3)24-11(2)17(22)20-13-5-4-8-19-16(13)18/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyQTDOYFXHYDUCLQ-NSHDSACASA-N
MW348.79 g/mol
LogP3.35
Rot. Bonds6

About (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide

(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide (PubChem CID 8730513) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
PubChem CID8730513
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-10(21)12-6-7-14(15(9-12)23-3)24-11(2)17(22)20-13-5-4-8-19-16(13)18/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyQTDOYFXHYDUCLQ-NSHDSACASA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8730577
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 9310072
methyl 4-[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003328
N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide
CID 57062019
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735384
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 46620006
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 9001264
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526094
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8740378
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 48796735
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 8741222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide (CID 8730513) is (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide is COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1cccnc1Cl.
What is the InChIKey of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide?
The InChIKey is QTDOYFXHYDUCLQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10(21)12-6-7-14(15(9-12)23-3)24-11(2)17(22)20-13-5-4-8-19-16(13)18/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide?
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide has a molecular weight of 348.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide is sourced from PubChem (CID 8730513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).