N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide

C18H17ClF3NO — CID 580660

IUPACN-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F
InChIInChI=1S/C18H17ClF3NO/c1-13(11-14-7-3-2-4-8-14)23(17(24)18(20,21)22)12-15-9-5-6-10-16(15)19/h2-10,13H,11-12H2,1H3
InChIKeyPDNDDUSCICVEBH-UHFFFAOYSA-N
MW355.79 g/mol
LogP4.86
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide

N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 580660) has the molecular formula C18H17ClF3NO and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
PubChem CID580660
Molecular FormulaC18H17ClF3NO
Molecular Weight355.79 g/mol
Exact Mass355.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F
InChIInChI=1S/C18H17ClF3NO/c1-13(11-14-7-3-2-4-8-14)23(17(24)18(20,21)22)12-15-9-5-6-10-16(15)19/h2-10,13H,11-12H2,1H3
InChIKeyPDNDDUSCICVEBH-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (CID 580660) is N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is CC(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is PDNDDUSCICVEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO/c1-13(11-14-7-3-2-4-8-14)23(17(24)18(20,21)22)12-15-9-5-6-10-16(15)19/h2-10,13H,11-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 355.79 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 580660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).