1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea

C18H21FN2O — CID 4803240

IUPAC1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O/c1-18(2,3)21(13-14-9-5-4-6-10-14)17(22)20-16-12-8-7-11-15(16)19/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyICWVHDCKARQTBR-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.66
Rot. Bonds3

About 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea

1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea (PubChem CID 4803240) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
PubChem CID4803240
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O/c1-18(2,3)21(13-14-9-5-4-6-10-14)17(22)20-16-12-8-7-11-15(16)19/h4-12H,13H2,1-3H3,(H,20,22)
InChIKeyICWVHDCKARQTBR-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
methyl 2-[[tert-butyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 811002
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
CID 111430106
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea?
The IUPAC name of 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea (CID 4803240) is 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea is CC(C)(C)N(Cc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea?
The InChIKey is ICWVHDCKARQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-18(2,3)21(13-14-9-5-4-6-10-14)17(22)20-16-12-8-7-11-15(16)19/h4-12H,13H2,1-3H3,(H,20,22).
What are the key properties of 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea?
1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea has a molecular weight of 300.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea is sourced from PubChem (CID 4803240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).