1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea

C14H10ClN3O2 — CID 64789061

IUPAC1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(Cl)c(O)c2)c1
InChIInChI=1S/C14H10ClN3O2/c15-12-5-4-11(7-13(12)19)18-14(20)17-10-3-1-2-9(6-10)8-16/h1-7,19H,(H2,17,18,20)
InChIKeyIPJKEUIJNGYQBG-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.56
Rot. Bonds2

About 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea

1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea (PubChem CID 64789061) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
PubChem CID64789061
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(Cl)c(O)c2)c1
InChIInChI=1S/C14H10ClN3O2/c15-12-5-4-11(7-13(12)19)18-14(20)17-10-3-1-2-9(6-10)8-16/h1-7,19H,(H2,17,18,20)
InChIKeyIPJKEUIJNGYQBG-UHFFFAOYSA-N
XLogP3.56
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780329
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(2-amino-6-chlorophenyl)-3-(3-cyanophenyl)urea
CID 62085872
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
CID 43245874
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea?
The IUPAC name of 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea (CID 64789061) is 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)Nc2ccc(Cl)c(O)c2)c1.
What is the InChIKey of 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea?
The InChIKey is IPJKEUIJNGYQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-12-5-4-11(7-13(12)19)18-14(20)17-10-3-1-2-9(6-10)8-16/h1-7,19H,(H2,17,18,20).
What are the key properties of 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea?
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea has a molecular weight of 287.71 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea is sourced from PubChem (CID 64789061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).