1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea

C19H21FN2O — CID 86838353

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1ccc(CNC(=O)NC2CCc3c(F)cccc32)c(C)c1
InChIInChI=1S/C19H21FN2O/c1-12-6-7-14(13(2)10-12)11-21-19(23)22-18-9-8-15-16(18)4-3-5-17(15)20/h3-7,10,18H,8-9,11H2,1-2H3,(H2,21,22,23)
InChIKeyQHCRXXNFGNZFBV-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.93
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea

1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 86838353) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID86838353
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1ccc(CNC(=O)NC2CCc3c(F)cccc32)c(C)c1
InChIInChI=1S/C19H21FN2O/c1-12-6-7-14(13(2)10-12)11-21-19(23)22-18-9-8-15-16(18)4-3-5-17(15)20/h3-7,10,18H,8-9,11H2,1-2H3,(H2,21,22,23)
InChIKeyQHCRXXNFGNZFBV-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242744
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838349
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505240
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
1-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787331
1-[(2-tert-butyltetrazol-5-yl)methyl]-3-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 164633012
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea (CID 86838353) is 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea is Cc1ccc(CNC(=O)NC2CCc3c(F)cccc32)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is QHCRXXNFGNZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-12-6-7-14(13(2)10-12)11-21-19(23)22-18-9-8-15-16(18)4-3-5-17(15)20/h3-7,10,18H,8-9,11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 312.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 86838353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).