2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide

C13H15ClF3NO — CID 99783550

IUPAC2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
SMILESCC[C@H](CC(F)(F)F)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClF3NO/c1-2-11(8-13(15,16)17)18-12(19)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyOJHOBMNJTMSZNP-LLVKDONJSA-N
MW293.72 g/mol
LogP3.73
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide

2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide (PubChem CID 99783550) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
PubChem CID99783550
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
SMILESCC[C@H](CC(F)(F)F)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClF3NO/c1-2-11(8-13(15,16)17)18-12(19)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyOJHOBMNJTMSZNP-LLVKDONJSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
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(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
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CID 15113984
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
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2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
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CID 100622666

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide (CID 99783550) is 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide is CC[C@H](CC(F)(F)F)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide?
The InChIKey is OJHOBMNJTMSZNP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-2-11(8-13(15,16)17)18-12(19)7-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide?
2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide has a molecular weight of 293.72 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide is sourced from PubChem (CID 99783550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).