1-(4-chlorophenyl)-3-(3-cyanophenyl)urea

C14H10ClN3O — CID 721971

IUPAC1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClN3O/c15-11-4-6-12(7-5-11)17-14(19)18-13-3-1-2-10(8-13)9-16/h1-8H,(H2,17,18,19)
InChIKeyDQTNTQPYAZWWTJ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.86
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea

1-(4-chlorophenyl)-3-(3-cyanophenyl)urea (PubChem CID 721971) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
PubChem CID721971
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H10ClN3O/c15-11-4-6-12(7-5-11)17-14(19)18-13-3-1-2-10(8-13)9-16/h1-8H,(H2,17,18,19)
InChIKeyDQTNTQPYAZWWTJ-UHFFFAOYSA-N
XLogP3.86
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
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1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
1-(3-cyanophenyl)-3-pyridin-4-ylurea
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1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
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1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
1-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780329
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
CID 14763066
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea (CID 721971) is 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea?
The InChIKey is DQTNTQPYAZWWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-4-6-12(7-5-11)17-14(19)18-13-3-1-2-10(8-13)9-16/h1-8H,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea?
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea has a molecular weight of 271.71 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-cyanophenyl)urea is sourced from PubChem (CID 721971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).