N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide

C17H15ClF3NO — CID 17102264

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C17H15ClF3NO/c1-10(2)11-3-5-12(6-4-11)16(23)22-15-8-7-13(9-14(15)18)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyFAEJZGUMAOYTML-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.73
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 17102264) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
PubChem CID17102264
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C17H15ClF3NO/c1-10(2)11-3-5-12(6-4-11)16(23)22-15-8-7-13(9-14(15)18)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyFAEJZGUMAOYTML-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide (CID 17102264) is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is FAEJZGUMAOYTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-10(2)11-3-5-12(6-4-11)16(23)22-15-8-7-13(9-14(15)18)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 341.76 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17102264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).