1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

C21H19ClN2O3 — CID 142259782

IUPAC1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
SMILESO=C(Nc1cccc(-c2ccc(O)cc2Cl)c1)Nc1ccccc1CCO
InChIInChI=1S/C21H19ClN2O3/c22-19-13-17(26)8-9-18(19)15-5-3-6-16(12-15)23-21(27)24-20-7-2-1-4-14(20)10-11-25/h1-9,12-13,25-26H,10-11H2,(H2,23,24,27)
InChIKeyGCNLCSAVMSCTTI-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.89
Rot. Bonds5

About 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea (PubChem CID 142259782) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
PubChem CID142259782
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
SMILESO=C(Nc1cccc(-c2ccc(O)cc2Cl)c1)Nc1ccccc1CCO
InChIInChI=1S/C21H19ClN2O3/c22-19-13-17(26)8-9-18(19)15-5-3-6-16(12-15)23-21(27)24-20-7-2-1-4-14(20)10-11-25/h1-9,12-13,25-26H,10-11H2,(H2,23,24,27)
InChIKeyGCNLCSAVMSCTTI-UHFFFAOYSA-N
XLogP4.89
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-[[2-(2-hydroxyethyl)phenyl]carbamoylamino]phenyl]phenyl] thiohypochlorite
CID 142259790
1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea
CID 142259775
1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea
CID 142259783
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 156854682
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea (CID 142259782) is 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea is O=C(Nc1cccc(-c2ccc(O)cc2Cl)c1)Nc1ccccc1CCO.
What is the InChIKey of 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
The InChIKey is GCNLCSAVMSCTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-19-13-17(26)8-9-18(19)15-5-3-6-16(12-15)23-21(27)24-20-7-2-1-4-14(20)10-11-25/h1-9,12-13,25-26H,10-11H2,(H2,23,24,27).
What are the key properties of 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea?
1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea has a molecular weight of 382.85 g/mol, XLogP of 4.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 142259782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).