N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide

C17H15ClF3NO — CID 2914438

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H15ClF3NO/c1-11(12-5-3-2-4-6-12)9-16(23)22-15-10-13(17(19,20)21)7-8-14(15)18/h2-8,10-11H,9H2,1H3,(H,22,23)
InChIKeyXEJZMNLVHOHVNJ-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.49
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide (PubChem CID 2914438) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide
PubChem CID2914438
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H15ClF3NO/c1-11(12-5-3-2-4-6-12)9-16(23)22-15-10-13(17(19,20)21)7-8-14(15)18/h2-8,10-11H,9H2,1H3,(H,22,23)
InChIKeyXEJZMNLVHOHVNJ-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide (CID 2914438) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide is CC(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide?
The InChIKey is XEJZMNLVHOHVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-11(12-5-3-2-4-6-12)9-16(23)22-15-10-13(17(19,20)21)7-8-14(15)18/h2-8,10-11H,9H2,1H3,(H,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide has a molecular weight of 341.76 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylbutanamide is sourced from PubChem (CID 2914438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).