2-phenylbenzonitrile;urea

C14H13N3O — CID 162064762

IUPAC2-phenylbenzonitrile;urea
SMILESN#Cc1ccccc1-c1ccccc1.NC(N)=O
InChIInChI=1S/C13H9N.CH4N2O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;2-1(3)4/h1-9H;(H4,2,3,4)
InChIKeyZAHTWRNHZQDNHC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.25
Rot. Bonds1

About 2-phenylbenzonitrile;urea

2-phenylbenzonitrile;urea (PubChem CID 162064762) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-phenylbenzonitrile;urea.

Molecular Properties

Compound Name2-phenylbenzonitrile;urea
PubChem CID162064762
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-phenylbenzonitrile;urea
SMILESN#Cc1ccccc1-c1ccccc1.NC(N)=O
InChIInChI=1S/C13H9N.CH4N2O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;2-1(3)4/h1-9H;(H4,2,3,4)
InChIKeyZAHTWRNHZQDNHC-UHFFFAOYSA-N
XLogP2.25
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-cyanophenyl)benzenesulfinic acid
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CID 102354115
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
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2-[4-(N-phenylanilino)phenyl]benzonitrile
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5-(2-cyanophenyl)pyridine-3-carboxylic acid
CID 50999377
2-bromo-3-phenylbenzonitrile
CID 141263565
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
ethyl 3-[4-(2-cyanophenyl)phenyl]prop-2-ynoate
CID 11108581
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Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzonitrile;urea?
The IUPAC name of 2-phenylbenzonitrile;urea (CID 162064762) is 2-phenylbenzonitrile;urea.
What is the SMILES notation for 2-phenylbenzonitrile;urea?
The canonical SMILES for 2-phenylbenzonitrile;urea is N#Cc1ccccc1-c1ccccc1.NC(N)=O.
What is the InChIKey of 2-phenylbenzonitrile;urea?
The InChIKey is ZAHTWRNHZQDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.CH4N2O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;2-1(3)4/h1-9H;(H4,2,3,4).
What are the key properties of 2-phenylbenzonitrile;urea?
2-phenylbenzonitrile;urea has a molecular weight of 239.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzonitrile;urea is sourced from PubChem (CID 162064762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).