N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H8ClF6NO — CID 624998

IUPACN-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCc1ccccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8ClF6NO/c12-7-4-2-1-3-6(7)5-19-9(20)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2,(H,19,20)
InChIKeyQQZMWDCMQCFQHZ-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.70
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 624998) has the molecular formula C11H8ClF6NO and a molecular weight of 319.63 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID624998
Molecular FormulaC11H8ClF6NO
Molecular Weight319.63 g/mol
Exact Mass319.02
IUPAC NameN-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCc1ccccc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8ClF6NO/c12-7-4-2-1-3-6(7)5-19-9(20)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2,(H,19,20)
InChIKeyQQZMWDCMQCFQHZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 624998) is N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(NCc1ccccc1Cl)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is QQZMWDCMQCFQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF6NO/c12-7-4-2-1-3-6(7)5-19-9(20)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 319.63 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 624998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).