molecular hydrogen;phenylurea

C7H12N2O — CID 143657584

IUPACmolecular hydrogen;phenylurea
SMILESNC(=O)Nc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C7H8N2O.2H2/c8-7(10)9-6-4-2-1-3-5-6;;/h1-5H,(H3,8,9,10);2*1H
InChIKeyXKCWDCGARKJRAX-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.67
Rot. Bonds1

About molecular hydrogen;phenylurea

molecular hydrogen;phenylurea (PubChem CID 143657584) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is molecular hydrogen;phenylurea.

Molecular Properties

Compound Namemolecular hydrogen;phenylurea
PubChem CID143657584
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemolecular hydrogen;phenylurea
SMILESNC(=O)Nc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C7H8N2O.2H2/c8-7(10)9-6-4-2-1-3-5-6;;/h1-5H,(H3,8,9,10);2*1H
InChIKeyXKCWDCGARKJRAX-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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[4-(benzylamino)phenyl]urea
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[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
(4-bromophenyl)urea
CID 16074
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CID 174413845
cobalt;N-phenylacetamide
CID 158689050
[3-(methylamino)phenyl]urea
CID 23558981
[3-(chloroamino)phenyl]urea
CID 155328094

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;phenylurea?
The IUPAC name of molecular hydrogen;phenylurea (CID 143657584) is molecular hydrogen;phenylurea.
What is the SMILES notation for molecular hydrogen;phenylurea?
The canonical SMILES for molecular hydrogen;phenylurea is NC(=O)Nc1ccccc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;phenylurea?
The InChIKey is XKCWDCGARKJRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.2H2/c8-7(10)9-6-4-2-1-3-5-6;;/h1-5H,(H3,8,9,10);2*1H.
What are the key properties of molecular hydrogen;phenylurea?
molecular hydrogen;phenylurea has a molecular weight of 140.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;phenylurea is sourced from PubChem (CID 143657584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).