3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea

C18H18ClFN2O2 — CID 111790504

IUPAC3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(F)cc1Cl)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C18H18ClFN2O2/c19-15-11-13(20)6-7-16(15)21-18(24)22(9-10-23)17-8-5-12-3-1-2-4-14(12)17/h1-4,6-7,11,17,23H,5,8-10H2,(H,21,24)
InChIKeyFZGHMXYSDQPBTG-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.99
Rot. Bonds4

About 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea

3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea (PubChem CID 111790504) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
PubChem CID111790504
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(F)cc1Cl)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C18H18ClFN2O2/c19-15-11-13(20)6-7-16(15)21-18(24)22(9-10-23)17-8-5-12-3-1-2-4-14(12)17/h1-4,6-7,11,17,23H,5,8-10H2,(H,21,24)
InChIKeyFZGHMXYSDQPBTG-UHFFFAOYSA-N
XLogP3.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
CID 51128665
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
CID 52528168
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
3-(6-chloro-3-pyridinyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111383083
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(3-nitrophenyl)urea
CID 71931096
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 95972891

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea (CID 111790504) is 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea is O=C(Nc1ccc(F)cc1Cl)N(CCO)C1CCc2ccccc21.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is FZGHMXYSDQPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-11-13(20)6-7-16(15)21-18(24)22(9-10-23)17-8-5-12-3-1-2-4-14(12)17/h1-4,6-7,11,17,23H,5,8-10H2,(H,21,24).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea?
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 348.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111790504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).