1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea

C19H21ClN2O2 — CID 126793549

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
SMILESCOCCc1ccccc1NC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN2O2/c1-24-11-10-13-4-2-3-5-17(13)21-19(23)22-18-9-6-14-12-15(20)7-8-16(14)18/h2-5,7-8,12,18H,6,9-11H2,1H3,(H2,21,22,23)
InChIKeyHZUKDIMCIMPYDT-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.34
Rot. Bonds5

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea (PubChem CID 126793549) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
PubChem CID126793549
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
SMILESCOCCc1ccccc1NC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN2O2/c1-24-11-10-13-4-2-3-5-17(13)21-19(23)22-18-9-6-14-12-15(20)7-8-16(14)18/h2-5,7-8,12,18H,6,9-11H2,1H3,(H2,21,22,23)
InChIKeyHZUKDIMCIMPYDT-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
CID 120987352
1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 102903875
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
1-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-(pyridin-2-ylmethyl)urea
CID 94594424
1-[5-[4-(2-aminophenyl)butanoyl]-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxyphenyl)urea
CID 143240748
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
5-chloro-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 102848942
(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
1-(4-chlorophenyl)-3-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110399695

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea (CID 126793549) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea is COCCc1ccccc1NC(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea?
The InChIKey is HZUKDIMCIMPYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-11-10-13-4-2-3-5-17(13)21-19(23)22-18-9-6-14-12-15(20)7-8-16(14)18/h2-5,7-8,12,18H,6,9-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea has a molecular weight of 344.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 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-[2-(2-methoxyethyl)phenyl]urea is sourced from PubChem (CID 126793549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).