1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea

C15H21ClN2O2 — CID 111505257

IUPAC1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C15H21ClN2O2/c1-10(7-8-19)9-17-15(20)18-14-6-5-11-12(14)3-2-4-13(11)16/h2-4,10,14,19H,5-9H2,1H3,(H2,17,18,20)
InChIKeyVGOPFDTUGMNXPS-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.64
Rot. Bonds5

About 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea

1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111505257) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111505257
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C15H21ClN2O2/c1-10(7-8-19)9-17-15(20)18-14-6-5-11-12(14)3-2-4-13(11)16/h2-4,10,14,19H,5-9H2,1H3,(H2,17,18,20)
InChIKeyVGOPFDTUGMNXPS-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110904136
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473329
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838349
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 56800336
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 95934166
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 97016691
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71886534
1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390056

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111505257) is 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NC1CCc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is VGOPFDTUGMNXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(7-8-19)9-17-15(20)18-14-6-5-11-12(14)3-2-4-13(11)16/h2-4,10,14,19H,5-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 296.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111505257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).