2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide

C19H22ClN3O3 — CID 99993030

IUPAC2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC[C@@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O3/c20-15-4-3-5-16(12-15)26-14-19(24)22-13-18(17-6-1-2-7-21-17)23-8-10-25-11-9-23/h1-7,12,18H,8-11,13-14H2,(H,22,24)/t18-/m0/s1
InChIKeyRCFGBEMVOSYLBU-SFHVURJKSA-N
MW375.86 g/mol
LogP2.30
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide

2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide (PubChem CID 99993030) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide
PubChem CID99993030
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC[C@@H](c1ccccn1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O3/c20-15-4-3-5-16(12-15)26-14-19(24)22-13-18(17-6-1-2-7-21-17)23-8-10-25-11-9-23/h1-7,12,18H,8-11,13-14H2,(H,22,24)/t18-/m0/s1
InChIKeyRCFGBEMVOSYLBU-SFHVURJKSA-N
XLogP2.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide (CID 99993030) is 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide is O=C(COc1cccc(Cl)c1)NC[C@@H](c1ccccn1)N1CCOCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide?
The InChIKey is RCFGBEMVOSYLBU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-15-4-3-5-16(12-15)26-14-19(24)22-13-18(17-6-1-2-7-21-17)23-8-10-25-11-9-23/h1-7,12,18H,8-11,13-14H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide?
2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide has a molecular weight of 375.86 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 99993030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).