2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide

C18H16F3NO4 — CID 89124140

IUPAC2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCCOc1ccc(NC(=O)C=O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3NO4/c1-2-9-25-14-7-8-16(22-17(24)11-23)15(10-14)12-3-5-13(6-4-12)26-18(19,20)21/h3-8,10-11H,2,9H2,1H3,(H,22,24)
InChIKeyQDCQWFOSUQQYCJ-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.18
Rot. Bonds7

About 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide

2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide (PubChem CID 89124140) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
PubChem CID89124140
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESCCCOc1ccc(NC(=O)C=O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H16F3NO4/c1-2-9-25-14-7-8-16(22-17(24)11-23)15(10-14)12-3-5-13(6-4-12)26-18(19,20)21/h3-8,10-11H,2,9H2,1H3,(H,22,24)
InChIKeyQDCQWFOSUQQYCJ-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-hydroxy-2-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetate
CID 70806286
1,1-dimethyl-3-[2-phenyl-4-(trifluoromethoxy)phenyl]urea
CID 135019693
2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 67797398
2-[[4-propoxy-2-(trifluoromethoxy)phenyl]carbamoyl]benzoic acid
CID 90451527
N-[2-(5,6-difluoro-1H-indol-3-yl)-4-propoxyphenyl]prop-2-enamide
CID 162705290
methyl 2-propoxy-4-(trifluoromethoxy)benzoate
CID 162583007
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921
N-[(4-tert-butylphenyl)methyl]-4-propoxy-3-[4-(trifluoromethoxy)phenyl]aniline
CID 59820876
(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
CID 60540583
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?
The IUPAC name of 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide (CID 89124140) is 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?
The canonical SMILES for 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide is CCCOc1ccc(NC(=O)C=O)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?
The InChIKey is QDCQWFOSUQQYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-2-9-25-14-7-8-16(22-17(24)11-23)15(10-14)12-3-5-13(6-4-12)26-18(19,20)21/h3-8,10-11H,2,9H2,1H3,(H,22,24).
What are the key properties of 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?
2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide has a molecular weight of 367.32 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-propoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 89124140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).