3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

C15H16ClF4NO — CID 101040061

IUPAC3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccccc1F
InChIInChI=1S/C15H16ClF4NO/c1-9(10-5-3-4-6-11(10)17)21-12(22)14(15(18,19)20)7-13(2,16)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
InChIKeyANJJGNHJHSZLIQ-BZFQTPOWSA-N
MW337.74 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 101040061) has the molecular formula C15H16ClF4NO and a molecular weight of 337.74 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID101040061
Molecular FormulaC15H16ClF4NO
Molecular Weight337.74 g/mol
Exact Mass337.09
IUPAC Name3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccccc1F
InChIInChI=1S/C15H16ClF4NO/c1-9(10-5-3-4-6-11(10)17)21-12(22)14(15(18,19)20)7-13(2,16)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
InChIKeyANJJGNHJHSZLIQ-BZFQTPOWSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
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(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
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ethyl 2-[1-(2-fluorophenyl)ethylamino]-2-oxoacetate
CID 54964438
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
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3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 101040061) is 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is C[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccccc1F.
What is the InChIKey of 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is ANJJGNHJHSZLIQ-BZFQTPOWSA-N. The full InChI is InChI=1S/C15H16ClF4NO/c1-9(10-5-3-4-6-11(10)17)21-12(22)14(15(18,19)20)7-13(2,16)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 337.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 101040061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).