N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C20H25ClFNO — CID 7929622

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25ClFNO/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)23-19(24)8-16-17(21)3-2-4-18(16)22/h2-4,12-15H,5-11H2,1H3,(H,23,24)/t12-,13?,14?,15?,20?/m0/s1
InChIKeyXCXRPGKAXYXCQQ-PGBBXINNSA-N
MW349.88 g/mol
LogP4.74
Rot. Bonds4

About N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 7929622) has the molecular formula C20H25ClFNO and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID7929622
Molecular FormulaC20H25ClFNO
Molecular Weight349.88 g/mol
Exact Mass349.16
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25ClFNO/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)23-19(24)8-16-17(21)3-2-4-18(16)22/h2-4,12-15H,5-11H2,1H3,(H,23,24)/t12-,13?,14?,15?,20?/m0/s1
InChIKeyXCXRPGKAXYXCQQ-PGBBXINNSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7929651
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
N-[(1S)-1-(1-adamantyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 7669216
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]adamantane
CID 63518312

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 7929622) is N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is C[C@H](NC(=O)Cc1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is XCXRPGKAXYXCQQ-PGBBXINNSA-N. The full InChI is InChI=1S/C20H25ClFNO/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)23-19(24)8-16-17(21)3-2-4-18(16)22/h2-4,12-15H,5-11H2,1H3,(H,23,24)/t12-,13?,14?,15?,20?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 349.88 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 7929622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).