2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C22H26ClFN2O4 — CID 24646941

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2c(F)cccc2Cl)N2CCOCC2)cc1OC
InChIInChI=1S/C22H26ClFN2O4/c1-28-20-7-6-15(12-21(20)29-2)19(26-8-10-30-11-9-26)14-25-22(27)13-16-17(23)4-3-5-18(16)24/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,25,27)
InChIKeyNKZITNQQXUNNFO-UHFFFAOYSA-N
MW436.91 g/mol
LogP3.23
Rot. Bonds8

About 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 24646941) has the molecular formula C22H26ClFN2O4 and a molecular weight of 436.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID24646941
Molecular FormulaC22H26ClFN2O4
Molecular Weight436.91 g/mol
Exact Mass436.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2c(F)cccc2Cl)N2CCOCC2)cc1OC
InChIInChI=1S/C22H26ClFN2O4/c1-28-20-7-6-15(12-21(20)29-2)19(26-8-10-30-11-9-26)14-25-22(27)13-16-17(23)4-3-5-18(16)24/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,25,27)
InChIKeyNKZITNQQXUNNFO-UHFFFAOYSA-N
XLogP3.23
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46448748
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 46540918
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 24646941) is 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc(C(CNC(=O)Cc2c(F)cccc2Cl)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is NKZITNQQXUNNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O4/c1-28-20-7-6-15(12-21(20)29-2)19(26-8-10-30-11-9-26)14-25-22(27)13-16-17(23)4-3-5-18(16)24/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 436.91 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 24646941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).