1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

C15H21ClN2O2 — CID 111454831

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2/c1-9(8-19)10(2)17-15(20)18-14-6-3-11-7-12(16)4-5-13(11)14/h4-5,7,9-10,14,19H,3,6,8H2,1-2H3,(H2,17,18,20)
InChIKeyMFRMPWYQVLURFW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.64
Rot. Bonds4

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111454831) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111454831
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2/c1-9(8-19)10(2)17-15(20)18-14-6-3-11-7-12(16)4-5-13(11)14/h4-5,7,9-10,14,19H,3,6,8H2,1-2H3,(H2,17,18,20)
InChIKeyMFRMPWYQVLURFW-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea with MolForge

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Related Compounds

(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505258
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110904145
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
CID 120987352
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119744290
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111454831) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is CC(CO)C(C)NC(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is MFRMPWYQVLURFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9(8-19)10(2)17-15(20)18-14-6-3-11-7-12(16)4-5-13(11)14/h4-5,7,9-10,14,19H,3,6,8H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 296.80 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111454831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).