1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea

C14H9Cl2N3O — CID 4251822

IUPAC1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-10-4-5-13(12(16)7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20)
InChIKeyWEOKVMARZFZOBO-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.51
Rot. Bonds2

About 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea

1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea (PubChem CID 4251822) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
PubChem CID4251822
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-10-4-5-13(12(16)7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20)
InChIKeyWEOKVMARZFZOBO-UHFFFAOYSA-N
XLogP4.51
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
CID 43245874
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
CID 108991974
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
CID 109246320
1-(2-amino-4-bromophenyl)-3-(3-cyanophenyl)urea
CID 43132937
1-(2-amino-6-chlorophenyl)-3-(3-cyanophenyl)urea
CID 62085872

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea (CID 4251822) is 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea is N#Cc1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea?
The InChIKey is WEOKVMARZFZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-10-4-5-13(12(16)7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20).
What are the key properties of 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea?
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea has a molecular weight of 306.15 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 4251822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).