1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea

C17H18ClFN2O2 — CID 36512499

IUPAC1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O2/c18-14-7-5-13(6-8-14)16(22)11-21-17(23)20-10-9-12-3-1-2-4-15(12)19/h1-8,16,22H,9-11H2,(H2,20,21,23)/t16-/m0/s1
InChIKeyPBWZVPQHDRMLCY-INIZCTEOSA-N
MW336.79 g/mol
LogP3.05
Rot. Bonds6

About 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 36512499) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID36512499
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O2/c18-14-7-5-13(6-8-14)16(22)11-21-17(23)20-10-9-12-3-1-2-4-15(12)19/h1-8,16,22H,9-11H2,(H2,20,21,23)/t16-/m0/s1
InChIKeyPBWZVPQHDRMLCY-INIZCTEOSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110929828
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(methanesulfonamido)phenyl]methyl]urea
CID 166225600
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 36512499) is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)NC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is PBWZVPQHDRMLCY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-7-5-13(6-8-14)16(22)11-21-17(23)20-10-9-12-3-1-2-4-15(12)19/h1-8,16,22H,9-11H2,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 336.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 36512499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).