3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea

C15H21ClN2O2 — CID 110904145

IUPAC3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2/c1-2-7-18(8-9-19)15(20)17-14-6-3-11-10-12(16)4-5-13(11)14/h4-5,10,14,19H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyVMGDHKWACCFTJJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.74
Rot. Bonds5

About 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea

3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110904145) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110904145
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2/c1-2-7-18(8-9-19)15(20)17-14-6-3-11-10-12(16)4-5-13(11)14/h4-5,10,14,19H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyVMGDHKWACCFTJJ-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide
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CID 111454831
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505258
1-(2-hydroxyethyl)-1-propyl-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913072
3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 60580727
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 138037756
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
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1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea (CID 110904145) is 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is VMGDHKWACCFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-7-18(8-9-19)15(20)17-14-6-3-11-10-12(16)4-5-13(11)14/h4-5,10,14,19H,2-3,6-9H2,1H3,(H,17,20).
What are the key properties of 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea?
3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 296.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110904145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).