3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea

C18H18ClFN2O2 — CID 95972891

IUPAC3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-10-13(20)6-9-16(15)21-18(24)22(14-7-8-14)11-17(23)12-4-2-1-3-5-12/h1-6,9-10,14,17,23H,7-8,11H2,(H,21,24)/t17-/m0/s1
InChIKeyIHYFPIFKLUIKDK-KRWDZBQOSA-N
MW348.81 g/mol
LogP4.21
Rot. Bonds5

About 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea

3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea (PubChem CID 95972891) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
PubChem CID95972891
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESO=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-10-13(20)6-9-16(15)21-18(24)22(14-7-8-14)11-17(23)12-4-2-1-3-5-12/h1-6,9-10,14,17,23H,7-8,11H2,(H,21,24)/t17-/m0/s1
InChIKeyIHYFPIFKLUIKDK-KRWDZBQOSA-N
XLogP4.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
1-cyclobutyl-1-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 10111155
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111795159
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
1-cyclopropyl-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95772322
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790504
2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
CID 111793378
2-[(2-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065952
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea (CID 95972891) is 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea is O=C(Nc1ccc(F)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is IHYFPIFKLUIKDK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-10-13(20)6-9-16(15)21-18(24)22(14-7-8-14)11-17(23)12-4-2-1-3-5-12/h1-6,9-10,14,17,23H,7-8,11H2,(H,21,24)/t17-/m0/s1.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea?
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea has a molecular weight of 348.81 g/mol, XLogP of 4.21, 5 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-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 95972891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).