2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide

C22H21ClN2O3 — CID 55796060

IUPAC2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C22H21ClN2O3/c1-15-9-10-20(23)21(12-15)28-16(2)22(26)25-17-7-5-8-19(13-17)27-14-18-6-3-4-11-24-18/h3-13,16H,14H2,1-2H3,(H,25,26)
InChIKeyOMKFBHJBHGDNNS-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.03
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide

2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide (PubChem CID 55796060) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
PubChem CID55796060
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C22H21ClN2O3/c1-15-9-10-20(23)21(12-15)28-16(2)22(26)25-17-7-5-8-19(13-17)27-14-18-6-3-4-11-24-18/h3-13,16H,14H2,1-2H3,(H,25,26)
InChIKeyOMKFBHJBHGDNNS-UHFFFAOYSA-N
XLogP5.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 40865849
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
CID 52783528
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]propanamide
CID 17079595
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide (CID 55796060) is 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide is Cc1ccc(Cl)c(OC(C)C(=O)Nc2cccc(OCc3ccccn3)c2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide?
The InChIKey is OMKFBHJBHGDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-15-9-10-20(23)21(12-15)28-16(2)22(26)25-17-7-5-8-19(13-17)27-14-18-6-3-4-11-24-18/h3-13,16H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide?
2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide has a molecular weight of 396.87 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 55796060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).