1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea

C10H12ClN3O2 — CID 141495757

IUPAC1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea
SMILESO=C(NNC1CC1)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H12ClN3O2/c11-8-5-7(15)3-4-9(8)12-10(16)14-13-6-1-2-6/h3-6,13,15H,1-2H2,(H2,12,14,16)
InChIKeyXKCKHFJFZFHVBV-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea

1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea (PubChem CID 141495757) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea.

Molecular Properties

Compound Name1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea
PubChem CID141495757
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea
SMILESO=C(NNC1CC1)Nc1ccc(O)cc1Cl
InChIInChI=1S/C10H12ClN3O2/c11-8-5-7(15)3-4-9(8)12-10(16)14-13-6-1-2-6/h3-6,13,15H,1-2H2,(H2,12,14,16)
InChIKeyXKCKHFJFZFHVBV-UHFFFAOYSA-N
XLogP1.83
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(2-chloro-4-hydroxyphenyl)-3-[6-[(2-chloro-4-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 4520797
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea?
The IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea (CID 141495757) is 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea.
What is the SMILES notation for 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea?
The canonical SMILES for 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea is O=C(NNC1CC1)Nc1ccc(O)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea?
The InChIKey is XKCKHFJFZFHVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-5-7(15)3-4-9(8)12-10(16)14-13-6-1-2-6/h3-6,13,15H,1-2H2,(H2,12,14,16).
What are the key properties of 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea?
1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea has a molecular weight of 241.68 g/mol, XLogP of 1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-hydroxyphenyl)-3-(cyclopropylamino)urea is sourced from PubChem (CID 141495757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).