N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide

C19H21F3N2O2 — CID 42070595

IUPACN-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C19H21F3N2O2/c1-2-10-26-17-9-8-15(19(20,21)22)11-16(17)23-13-18(25)24-12-14-6-4-3-5-7-14/h3-9,11,23H,2,10,12-13H2,1H3,(H,24,25)
InChIKeyGTIPWKXFHVUILC-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.22
Rot. Bonds8

About N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide

N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide (PubChem CID 42070595) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
PubChem CID42070595
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C19H21F3N2O2/c1-2-10-26-17-9-8-15(19(20,21)22)11-16(17)23-13-18(25)24-12-14-6-4-3-5-7-14/h3-9,11,23H,2,10,12-13H2,1H3,(H,24,25)
InChIKeyGTIPWKXFHVUILC-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 33164006
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553002
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 51860705
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55336790
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-anilino-N-[(3-methyl-4-propoxyphenyl)methyl]acetamide
CID 142694058
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070606
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide (CID 42070595) is N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide is CCCOc1ccc(C(F)(F)F)cc1NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is GTIPWKXFHVUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-2-10-26-17-9-8-15(19(20,21)22)11-16(17)23-13-18(25)24-12-14-6-4-3-5-7-14/h3-9,11,23H,2,10,12-13H2,1H3,(H,24,25).
What are the key properties of N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 366.38 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 42070595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).