1-(2-cyanophenyl)-3-(2-iodophenyl)urea

C14H10IN3O — CID 108868891

IUPAC1-(2-cyanophenyl)-3-(2-iodophenyl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccccc1I
InChIInChI=1S/C14H10IN3O/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19)
InChIKeySSTJJWJWEMCJRT-UHFFFAOYSA-N
MW363.16 g/mol
LogP3.81
Rot. Bonds2

About 1-(2-cyanophenyl)-3-(2-iodophenyl)urea

1-(2-cyanophenyl)-3-(2-iodophenyl)urea (PubChem CID 108868891) has the molecular formula C14H10IN3O and a molecular weight of 363.16 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(2-iodophenyl)urea
PubChem CID108868891
Molecular FormulaC14H10IN3O
Molecular Weight363.16 g/mol
Exact Mass362.99
IUPAC Name1-(2-cyanophenyl)-3-(2-iodophenyl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccccc1I
InChIInChI=1S/C14H10IN3O/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19)
InChIKeySSTJJWJWEMCJRT-UHFFFAOYSA-N
XLogP3.81
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
(2-cyanophenyl)urea
CID 13155570
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
4-[(2-cyanophenyl)carbamoylamino]benzoate
CID 7057070
1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811788
1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896183
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(2-iodophenyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(2-iodophenyl)urea (CID 108868891) is 1-(2-cyanophenyl)-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(2-iodophenyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(2-iodophenyl)urea is N#Cc1ccccc1NC(=O)Nc1ccccc1I.
What is the InChIKey of 1-(2-cyanophenyl)-3-(2-iodophenyl)urea?
The InChIKey is SSTJJWJWEMCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O/c15-11-6-2-4-8-13(11)18-14(19)17-12-7-3-1-5-10(12)9-16/h1-8H,(H2,17,18,19).
What are the key properties of 1-(2-cyanophenyl)-3-(2-iodophenyl)urea?
1-(2-cyanophenyl)-3-(2-iodophenyl)urea has a molecular weight of 363.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(2-iodophenyl)urea is sourced from PubChem (CID 108868891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).