1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea

C14H18FN3O2 — CID 47186663

IUPAC1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCC1
InChIInChI=1S/C14H18FN3O2/c15-12-6-4-10(5-7-12)8-13(19)17-18-14(20)16-9-11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H,17,19)(H2,16,18,20)
InChIKeyOUACOQCXRJKKBC-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.50
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea

1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea (PubChem CID 47186663) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea
PubChem CID47186663
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCC1
InChIInChI=1S/C14H18FN3O2/c15-12-6-4-10(5-7-12)8-13(19)17-18-14(20)16-9-11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H,17,19)(H2,16,18,20)
InChIKeyOUACOQCXRJKKBC-UHFFFAOYSA-N
XLogP1.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
CID 60600547
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
1-benzamido-3-(cyclobutylmethyl)urea
CID 47254058
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea (CID 47186663) is 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea is O=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
The InChIKey is OUACOQCXRJKKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-6-4-10(5-7-12)8-13(19)17-18-14(20)16-9-11-2-1-3-11/h4-7,11H,1-3,8-9H2,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea?
1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea has a molecular weight of 279.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea is sourced from PubChem (CID 47186663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).