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

C21H19N3O3 — CID 142259775

IUPAC1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea
SMILESO=Nc1ccc(-c2cccc(NC(=O)Nc3ccccc3CCO)c2)cc1
InChIInChI=1S/C21H19N3O3/c25-13-12-16-4-1-2-7-20(16)23-21(26)22-19-6-3-5-17(14-19)15-8-10-18(24-27)11-9-15/h1-11,14,25H,12-13H2,(H2,22,23,26)
InChIKeyKEIYJVAJPKDAOU-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.93
Rot. Bonds6

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

1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea (PubChem CID 142259775) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea
PubChem CID142259775
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea
SMILESO=Nc1ccc(-c2cccc(NC(=O)Nc3ccccc3CCO)c2)cc1
InChIInChI=1S/C21H19N3O3/c25-13-12-16-4-1-2-7-20(16)23-21(26)22-19-6-3-5-17(14-19)15-8-10-18(24-27)11-9-15/h1-11,14,25H,12-13H2,(H2,22,23,26)
InChIKeyKEIYJVAJPKDAOU-UHFFFAOYSA-N
XLogP4.93
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-[[2-(2-hydroxyethyl)phenyl]carbamoylamino]phenyl]phenyl] thiohypochlorite
CID 142259790
1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 142259782
1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 156854682
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
(3-phenylphenyl)carbamic acid
CID 611602
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea
CID 142259783
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71062758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea (CID 142259775) is 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea is O=Nc1ccc(-c2cccc(NC(=O)Nc3ccccc3CCO)c2)cc1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea?
The InChIKey is KEIYJVAJPKDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-13-12-16-4-1-2-7-20(16)23-21(26)22-19-6-3-5-17(14-19)15-8-10-18(24-27)11-9-15/h1-11,14,25H,12-13H2,(H2,22,23,26).
What are the key properties of 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea?
1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea has a molecular weight of 361.40 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(4-nitrosophenyl)phenyl]urea is sourced from PubChem (CID 142259775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).