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

C18H19ClN2O3 — CID 60591170

IUPAC1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-8-7-12(10-14(16)19)20-18(23)21-17-13-6-4-3-5-11(13)9-15(17)22/h3-8,10,15,17,22H,2,9H2,1H3,(H2,20,21,23)/t15-,17+/m0/s1
InChIKeyNBYGLMUDWIDUFU-DOTOQJQBSA-N
MW346.81 g/mol
LogP3.52
Rot. Bonds4

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

1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 60591170) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID60591170
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-8-7-12(10-14(16)19)20-18(23)21-17-13-6-4-3-5-11(13)9-15(17)22/h3-8,10,15,17,22H,2,9H2,1H3,(H2,20,21,23)/t15-,17+/m0/s1
InChIKeyNBYGLMUDWIDUFU-DOTOQJQBSA-N
XLogP3.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110908005
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
N-(3-chloro-4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285022
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
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1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
1-(3-chloro-2-methyl-4-pyridinyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 60591170) is 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCOc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is NBYGLMUDWIDUFU-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-24-16-8-7-12(10-14(16)19)20-18(23)21-17-13-6-4-3-5-11(13)9-15(17)22/h3-8,10,15,17,22H,2,9H2,1H3,(H2,20,21,23)/t15-,17+/m0/s1.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 346.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 60591170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).