3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

C15H16Cl2F3NO — CID 23550325

IUPAC3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2F3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
InChIKeyVOSDFABOXMDDFU-BZFQTPOWSA-N
MW354.20 g/mol
LogP4.86
Rot. Bonds3

About 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide

3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 23550325) has the molecular formula C15H16Cl2F3NO and a molecular weight of 354.20 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID23550325
Molecular FormulaC15H16Cl2F3NO
Molecular Weight354.20 g/mol
Exact Mass353.06
IUPAC Name3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2F3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1
InChIKeyVOSDFABOXMDDFU-BZFQTPOWSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 23550325) is 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is C[C@@H](NC(=O)C1(C(F)(F)F)CC(C)(Cl)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is VOSDFABOXMDDFU-BZFQTPOWSA-N. The full InChI is InChI=1S/C15H16Cl2F3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)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-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
3-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 354.20 g/mol, XLogP of 4.86, 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-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 23550325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).