4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide

C18H17F4NO2 — CID 70989867

IUPAC4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCOC(c1ccccc1)C(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H17F4NO2/c1-11(16(25-2)12-6-4-3-5-7-12)23-17(24)13-8-9-15(19)14(10-13)18(20,21)22/h3-11,16H,1-2H3,(H,23,24)
InChIKeyATKUOCBVUHSJRR-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.35
Rot. Bonds5

About 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 70989867) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID70989867
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCOC(c1ccccc1)C(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H17F4NO2/c1-11(16(25-2)12-6-4-3-5-7-12)23-17(24)13-8-9-15(19)14(10-13)18(20,21)22/h3-11,16H,1-2H3,(H,23,24)
InChIKeyATKUOCBVUHSJRR-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090
4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58898003
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 97256121
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
[(2S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] carbamate
CID 175153761
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybutan-1-one
CID 107290956

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide (CID 70989867) is 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide is COC(c1ccccc1)C(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is ATKUOCBVUHSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-11(16(25-2)12-6-4-3-5-7-12)23-17(24)13-8-9-15(19)14(10-13)18(20,21)22/h3-11,16H,1-2H3,(H,23,24).
What are the key properties of 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 355.33 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 70989867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).