[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea

C10H11ClN2O — CID 129403037

IUPAC[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
SMILESNC(=O)N[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-2-7-6(8)4-5-9(7)13-10(12)14/h1-3,9H,4-5H2,(H3,12,13,14)/t9-/m1/s1
InChIKeyAIKJONMPRYDHIM-SECBINFHSA-N
MW210.66 g/mol
LogP2.00
Rot. Bonds1

About [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea

[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 129403037) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID129403037
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
SMILESNC(=O)N[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-2-7-6(8)4-5-9(7)13-10(12)14/h1-3,9H,4-5H2,(H3,12,13,14)/t9-/m1/s1
InChIKeyAIKJONMPRYDHIM-SECBINFHSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
CID 56819408
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692
(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582124
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746685
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110904136
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
CID 75514637
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111505257
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119746677

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea (CID 129403037) is [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea is NC(=O)N[C@@H]1CCc2c(Cl)cccc21.
What is the InChIKey of [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is AIKJONMPRYDHIM-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-3-1-2-7-6(8)4-5-9(7)13-10(12)14/h1-3,9H,4-5H2,(H3,12,13,14)/t9-/m1/s1.
What are the key properties of [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea?
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 210.66 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 129403037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).