2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide

C20H23ClFNO3 — CID 55653646

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)Cc2c(F)cccc2Cl)ccc1OC(C)C
InChIInChI=1S/C20H23ClFNO3/c1-12(2)26-18-9-8-14(10-19(18)25-4)13(3)23-20(24)11-15-16(21)6-5-7-17(15)22/h5-10,12-13H,11H2,1-4H3,(H,23,24)
InChIKeyXEVOIYUYIXFQAJ-UHFFFAOYSA-N
MW379.86 g/mol
LogP4.69
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 55653646) has the molecular formula C20H23ClFNO3 and a molecular weight of 379.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID55653646
Molecular FormulaC20H23ClFNO3
Molecular Weight379.86 g/mol
Exact Mass379.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)Cc2c(F)cccc2Cl)ccc1OC(C)C
InChIInChI=1S/C20H23ClFNO3/c1-12(2)26-18-9-8-14(10-19(18)25-4)13(3)23-20(24)11-15-16(21)6-5-7-17(15)22/h5-10,12-13H,11H2,1-4H3,(H,23,24)
InChIKeyXEVOIYUYIXFQAJ-UHFFFAOYSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806772
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92646579
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718188
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide (CID 55653646) is 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide is COc1cc(C(C)NC(=O)Cc2c(F)cccc2Cl)ccc1OC(C)C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is XEVOIYUYIXFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO3/c1-12(2)26-18-9-8-14(10-19(18)25-4)13(3)23-20(24)11-15-16(21)6-5-7-17(15)22/h5-10,12-13H,11H2,1-4H3,(H,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 379.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55653646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).