1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea

C14H14ClN3O2 — CID 43551130

IUPAC1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea
SMILESNc1ccc(O)c(CNC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H14ClN3O2/c15-10-2-1-3-12(7-10)18-14(20)17-8-9-6-11(16)4-5-13(9)19/h1-7,19H,8,16H2,(H2,17,18,20)
InChIKeyDYDQCQBWWMXLLA-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.95
Rot. Bonds3

About 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea

1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea (PubChem CID 43551130) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea
PubChem CID43551130
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea
SMILESNc1ccc(O)c(CNC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H14ClN3O2/c15-10-2-1-3-12(7-10)18-14(20)17-8-9-6-11(16)4-5-13(9)19/h1-7,19H,8,16H2,(H2,17,18,20)
InChIKeyDYDQCQBWWMXLLA-UHFFFAOYSA-N
XLogP2.95
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 61013605
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
CID 62697958
1-(3-chlorophenyl)-3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 110775214
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
1-(2-azidoethyl)-3-(3-chlorophenyl)urea
CID 61342512
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea (CID 43551130) is 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea is Nc1ccc(O)c(CNC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea?
The InChIKey is DYDQCQBWWMXLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-2-1-3-12(7-10)18-14(20)17-8-9-6-11(16)4-5-13(9)19/h1-7,19H,8,16H2,(H2,17,18,20).
What are the key properties of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea?
1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea has a molecular weight of 291.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 43551130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).