1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea

C14H9ClFN3O — CID 43580526

IUPAC1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
SMILESN#Cc1c(F)cccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H9ClFN3O/c15-10-4-1-2-6-13(10)19-14(20)18-12-7-3-5-11(16)9(12)8-17/h1-7H,(H2,18,19,20)
InChIKeyLNQQHZJQZJAPHG-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.99
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea

1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea (PubChem CID 43580526) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
PubChem CID43580526
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
SMILESN#Cc1c(F)cccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H9ClFN3O/c15-10-4-1-2-6-13(10)19-14(20)18-12-7-3-5-11(16)9(12)8-17/h1-7H,(H2,18,19,20)
InChIKeyLNQQHZJQZJAPHG-UHFFFAOYSA-N
XLogP3.99
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
CID 43580354
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea (CID 43580526) is 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea is N#Cc1c(F)cccc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea?
The InChIKey is LNQQHZJQZJAPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-10-4-1-2-6-13(10)19-14(20)18-12-7-3-5-11(16)9(12)8-17/h1-7H,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea?
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea has a molecular weight of 289.70 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea is sourced from PubChem (CID 43580526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).