N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide

C18H16F4N2O3 — CID 22314460

IUPACN-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESCC(NC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)c(F)c1)C(N)=O
InChIInChI=1S/C18H16F4N2O3/c1-10(16(23)25)24-17(26)12-4-7-15(14(19)8-12)27-9-11-2-5-13(6-3-11)18(20,21)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyIIADEXGUNJDBND-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.03
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide

N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide (PubChem CID 22314460) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
PubChem CID22314460
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESCC(NC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)c(F)c1)C(N)=O
InChIInChI=1S/C18H16F4N2O3/c1-10(16(23)25)24-17(26)12-4-7-15(14(19)8-12)27-9-11-2-5-13(6-3-11)18(20,21)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,26)
InChIKeyIIADEXGUNJDBND-UHFFFAOYSA-N
XLogP3.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide with MolForge

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Related Compounds

methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
N-(1-amino-1-oxopropan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 20768706
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethyl)benzamide
CID 61121266
1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779846
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81448480
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 55679486
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromo-5-(trifluoromethyl)benzamide
CID 171390349

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide (CID 22314460) is N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide is CC(NC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)c(F)c1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
The InChIKey is IIADEXGUNJDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-10(16(23)25)24-17(26)12-4-7-15(14(19)8-12)27-9-11-2-5-13(6-3-11)18(20,21)22/h2-8,10H,9H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide?
N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide has a molecular weight of 384.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 22314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).