N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide

C17H15ClF3NO3 — CID 2101244

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C17H15ClF3NO3/c1-24-14-6-3-10(7-15(14)25-2)8-16(23)22-11-4-5-13(18)12(9-11)17(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23)
InChIKeyTXUSILODAKOVBE-UHFFFAOYSA-N
MW373.76 g/mol
LogP4.56
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2101244) has the molecular formula C17H15ClF3NO3 and a molecular weight of 373.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID2101244
Molecular FormulaC17H15ClF3NO3
Molecular Weight373.76 g/mol
Exact Mass373.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C17H15ClF3NO3/c1-24-14-6-3-10(7-15(14)25-2)8-16(23)22-11-4-5-13(18)12(9-11)17(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23)
InChIKeyTXUSILODAKOVBE-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 993572
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] (2R)-2-acetamido-3-(3,4-dimethoxyphenyl)-2-methylpropanoate
CID 166392071
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[[2-(3,4-dimethoxyphenyl)acetyl]amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86567563
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 2101244) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is TXUSILODAKOVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3/c1-24-14-6-3-10(7-15(14)25-2)8-16(23)22-11-4-5-13(18)12(9-11)17(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 373.76 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).