1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea

C16H14Cl2N2O2 — CID 10404791

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)NC1CC1c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c17-12-6-10(7-13(18)15(12)21)19-16(22)20-14-8-11(14)9-4-2-1-3-5-9/h1-7,11,14,21H,8H2,(H2,19,20,22)
InChIKeyAGROBRQUCSDCTI-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.38
Rot. Bonds3

About 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea

1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea (PubChem CID 10404791) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea
PubChem CID10404791
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)NC1CC1c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c17-12-6-10(7-13(18)15(12)21)19-16(22)20-14-8-11(14)9-4-2-1-3-5-9/h1-7,11,14,21H,8H2,(H2,19,20,22)
InChIKeyAGROBRQUCSDCTI-UHFFFAOYSA-N
XLogP4.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea
CID 10047766
1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 167419906
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810588
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810586
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114828
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea (CID 10404791) is 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea is O=C(Nc1cc(Cl)c(O)c(Cl)c1)NC1CC1c1ccccc1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is AGROBRQUCSDCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-12-6-10(7-13(18)15(12)21)19-16(22)20-14-8-11(14)9-4-2-1-3-5-9/h1-7,11,14,21H,8H2,(H2,19,20,22).
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea?
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 337.21 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 10404791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).