1-(2H-isoindol-5-ylmethyl)-1-phenylurea

C16H15N3O — CID 91359085

IUPAC1-(2H-isoindol-5-ylmethyl)-1-phenylurea
SMILESNC(=O)N(Cc1ccc2c[nH]cc2c1)c1ccccc1
InChIInChI=1S/C16H15N3O/c17-16(20)19(15-4-2-1-3-5-15)11-12-6-7-13-9-18-10-14(13)8-12/h1-10,18H,11H2,(H2,17,20)
InChIKeyCJYHGHCAHPMYFP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds3

About 1-(2H-isoindol-5-ylmethyl)-1-phenylurea

1-(2H-isoindol-5-ylmethyl)-1-phenylurea (PubChem CID 91359085) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2H-isoindol-5-ylmethyl)-1-phenylurea.

Molecular Properties

Compound Name1-(2H-isoindol-5-ylmethyl)-1-phenylurea
PubChem CID91359085
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(2H-isoindol-5-ylmethyl)-1-phenylurea
SMILESNC(=O)N(Cc1ccc2c[nH]cc2c1)c1ccccc1
InChIInChI=1S/C16H15N3O/c17-16(20)19(15-4-2-1-3-5-15)11-12-6-7-13-9-18-10-14(13)8-12/h1-10,18H,11H2,(H2,17,20)
InChIKeyCJYHGHCAHPMYFP-UHFFFAOYSA-N
XLogP3.25
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea
CID 91285452
3-[(N-carbamoylanilino)methyl]benzoic acid
CID 67799196
1-(4-aminophenyl)-1-benzylurea
CID 154248103
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 150287144
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
4-[4-chloro-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
CID 90687865
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
2-amino-N-[(4-ethylphenyl)methyl]-N-phenylacetamide
CID 39367115
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
3-[(3-carboxy-3-oxopropanoyl)-(naphthalen-2-ylmethyl)amino]benzoic acid
CID 504949

Frequently Asked Questions

What is the IUPAC name of 1-(2H-isoindol-5-ylmethyl)-1-phenylurea?
The IUPAC name of 1-(2H-isoindol-5-ylmethyl)-1-phenylurea (CID 91359085) is 1-(2H-isoindol-5-ylmethyl)-1-phenylurea.
What is the SMILES notation for 1-(2H-isoindol-5-ylmethyl)-1-phenylurea?
The canonical SMILES for 1-(2H-isoindol-5-ylmethyl)-1-phenylurea is NC(=O)N(Cc1ccc2c[nH]cc2c1)c1ccccc1.
What is the InChIKey of 1-(2H-isoindol-5-ylmethyl)-1-phenylurea?
The InChIKey is CJYHGHCAHPMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16(20)19(15-4-2-1-3-5-15)11-12-6-7-13-9-18-10-14(13)8-12/h1-10,18H,11H2,(H2,17,20).
What are the key properties of 1-(2H-isoindol-5-ylmethyl)-1-phenylurea?
1-(2H-isoindol-5-ylmethyl)-1-phenylurea has a molecular weight of 265.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-isoindol-5-ylmethyl)-1-phenylurea is sourced from PubChem (CID 91359085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).