2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide

C20H25ClFNO2 — CID 72719733

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
SMILESCOC1(CNC(=O)Cc2c(F)cccc2Cl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H25ClFNO2/c1-25-20(14-6-12-5-13(8-14)9-15(20)7-12)11-23-19(24)10-16-17(21)3-2-4-18(16)22/h2-4,12-15H,5-11H2,1H3,(H,23,24)
InChIKeyPDQKMOZSCIONQR-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide (PubChem CID 72719733) has the molecular formula C20H25ClFNO2 and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
PubChem CID72719733
Molecular FormulaC20H25ClFNO2
Molecular Weight365.88 g/mol
Exact Mass365.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
SMILESCOC1(CNC(=O)Cc2c(F)cccc2Cl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H25ClFNO2/c1-25-20(14-6-12-5-13(8-14)9-15(20)7-12)11-23-19(24)10-16-17(21)3-2-4-18(16)22/h2-4,12-15H,5-11H2,1H3,(H,23,24)
InChIKeyPDQKMOZSCIONQR-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea
CID 90624370
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
CID 91817773
1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 7929622
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 18139443
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide (CID 72719733) is 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide is COC1(CNC(=O)Cc2c(F)cccc2Cl)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide?
The InChIKey is PDQKMOZSCIONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFNO2/c1-25-20(14-6-12-5-13(8-14)9-15(20)7-12)11-23-19(24)10-16-17(21)3-2-4-18(16)22/h2-4,12-15H,5-11H2,1H3,(H,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide has a molecular weight of 365.88 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide is sourced from PubChem (CID 72719733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).