1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea

C20H20F4N2O2 — CID 86973271

IUPAC1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCOCC(NC(=O)NC1CCc2ccc(F)cc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F4N2O2/c1-28-11-18(13-3-2-4-14(9-13)20(22,23)24)26-19(27)25-17-8-6-12-5-7-15(21)10-16(12)17/h2-5,7,9-10,17-18H,6,8,11H2,1H3,(H2,25,26,27)
InChIKeyZIVDZRBMVLTFJT-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.52
Rot. Bonds5

About 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 86973271) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID86973271
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCOCC(NC(=O)NC1CCc2ccc(F)cc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F4N2O2/c1-28-11-18(13-3-2-4-14(9-13)20(22,23)24)26-19(27)25-17-8-6-12-5-7-15(21)10-16(12)17/h2-5,7,9-10,17-18H,6,8,11H2,1H3,(H2,25,26,27)
InChIKeyZIVDZRBMVLTFJT-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2R,3R)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-3-[(1R,2S)-2-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 164630480
5-(2-aminoethoxymethyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 10250450
(2S,5S,7R)-N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-7-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-N-methyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 58169875
(2R,5S,7R)-N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-7-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-N-methyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 58169876
(2R,5S,7R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-N-methyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 58169923
(2S,5S,7R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-N-methyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 58169932
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 2-[3-(trifluoromethyl)phenyl]acetate
CID 59202312
(2R,4S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-[2-(diethylamino)ethoxy]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 145788199
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-methoxypiperidine-1-carboxamide
CID 145788201
1-Heptan-2-yl-3-[3-[3-(trifluoromethyl)phenyl]oxetan-3-yl]urea
CID 175464386
1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47070348
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea
CID 47377578

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 86973271) is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea is COCC(NC(=O)NC1CCc2ccc(F)cc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is ZIVDZRBMVLTFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-28-11-18(13-3-2-4-14(9-13)20(22,23)24)26-19(27)25-17-8-6-12-5-7-15(21)10-16(12)17/h2-5,7,9-10,17-18H,6,8,11H2,1H3,(H2,25,26,27).
What are the key properties of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 396.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 86973271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).