3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea

C18H15FN4O — CID 131913904

IUPAC3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H15FN4O/c1-23(18(24)22-15-4-2-3-12(7-15)10-20)11-16-9-13-8-14(19)5-6-17(13)21-16/h2-9,21H,11H2,1H3,(H,22,24)
InChIKeyUTWWEAMNQSWGLC-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.84
Rot. Bonds3

About 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea

3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea (PubChem CID 131913904) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea
PubChem CID131913904
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H15FN4O/c1-23(18(24)22-15-4-2-3-12(7-15)10-20)11-16-9-13-8-14(19)5-6-17(13)21-16/h2-9,21H,11H2,1H3,(H,22,24)
InChIKeyUTWWEAMNQSWGLC-UHFFFAOYSA-N
XLogP3.84
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60990103
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2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
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4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
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1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
CID 89133136
CID 89133136
1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125437107
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea (CID 131913904) is 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea?
The InChIKey is UTWWEAMNQSWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23(18(24)22-15-4-2-3-12(7-15)10-20)11-16-9-13-8-14(19)5-6-17(13)21-16/h2-9,21H,11H2,1H3,(H,22,24).
What are the key properties of 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea?
3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea has a molecular weight of 322.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 131913904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).