1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea

C23H20F2N2O — CID 97314053

IUPAC1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C23H20F2N2O/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)27-23(28)26-21-14-9-15-3-1-2-4-20(15)21/h1-8,10-13,21-22H,9,14H2,(H2,26,27,28)/t21-/m0/s1
InChIKeyPBCHKYRGOAKRMF-NRFANRHFSA-N
MW378.42 g/mol
LogP5.04
Rot. Bonds4

About 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea

1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 97314053) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID97314053
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C23H20F2N2O/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)27-23(28)26-21-14-9-15-3-1-2-4-20(15)21/h1-8,10-13,21-22H,9,14H2,(H2,26,27,28)/t21-/m0/s1
InChIKeyPBCHKYRGOAKRMF-NRFANRHFSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 26848241
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1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
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CID 24983548
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
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CID 111454160
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea (CID 97314053) is 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea is O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N[C@H]1CCc2ccccc21.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is PBCHKYRGOAKRMF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20F2N2O/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)27-23(28)26-21-14-9-15-3-1-2-4-20(15)21/h1-8,10-13,21-22H,9,14H2,(H2,26,27,28)/t21-/m0/s1.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea?
1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 378.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 97314053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).