N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide

C19H17ClF3NO2 — CID 139091008

IUPACN-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide
SMILESCCC(=O)N(C(=O)C(F)(F)F)c1c(-c2ccc(Cl)cc2)ccc(C)c1C
InChIInChI=1S/C19H17ClF3NO2/c1-4-16(25)24(18(26)19(21,22)23)17-12(3)11(2)5-10-15(17)13-6-8-14(20)9-7-13/h5-10H,4H2,1-3H3
InChIKeyUYVWPWDJTFHMIB-UHFFFAOYSA-N
MW383.80 g/mol
LogP5.46
Rot. Bonds3

About N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide

N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide (PubChem CID 139091008) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide
PubChem CID139091008
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC NameN-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide
SMILESCCC(=O)N(C(=O)C(F)(F)F)c1c(-c2ccc(Cl)cc2)ccc(C)c1C
InChIInChI=1S/C19H17ClF3NO2/c1-4-16(25)24(18(26)19(21,22)23)17-12(3)11(2)5-10-15(17)13-6-8-14(20)9-7-13/h5-10H,4H2,1-3H3
InChIKeyUYVWPWDJTFHMIB-UHFFFAOYSA-N
XLogP5.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.80
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide (CID 139091008) is N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide is CCC(=O)N(C(=O)C(F)(F)F)c1c(-c2ccc(Cl)cc2)ccc(C)c1C.
What is the InChIKey of N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide?
The InChIKey is UYVWPWDJTFHMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c1-4-16(25)24(18(26)19(21,22)23)17-12(3)11(2)5-10-15(17)13-6-8-14(20)9-7-13/h5-10H,4H2,1-3H3.
What are the key properties of N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide?
N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide has a molecular weight of 383.80 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide is sourced from PubChem (CID 139091008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).