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

C17H19ClN2O2 — CID 38214845

IUPAC1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c18-15-8-6-14(7-9-15)16(21)12-20-17(22)19-11-10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,19,20,22)/t16-/m0/s1
InChIKeySVHVJCIJUSBATO-INIZCTEOSA-N
MW318.80 g/mol
LogP2.92
Rot. Bonds6

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

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea (PubChem CID 38214845) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
PubChem CID38214845
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c18-15-8-6-14(7-9-15)16(21)12-20-17(22)19-11-10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,19,20,22)/t16-/m0/s1
InChIKeySVHVJCIJUSBATO-INIZCTEOSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
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
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea (CID 38214845) is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
The InChIKey is SVHVJCIJUSBATO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-15-8-6-14(7-9-15)16(21)12-20-17(22)19-11-10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea?
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea has a molecular weight of 318.80 g/mol, XLogP of 2.92, 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-phenylethyl)urea is sourced from PubChem (CID 38214845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).