1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea

C14H20FN3O2 — CID 23275444

IUPAC1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)Nc1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)9-6-7-10(15)11(8-9)17-13(20)18(5)12(19)16-4/h6-8H,1-5H3,(H,16,19)(H,17,20)
InChIKeyBUUKILVEWOAVFB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.93
Rot. Bonds1

About 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea

1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea (PubChem CID 23275444) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea
PubChem CID23275444
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)Nc1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)9-6-7-10(15)11(8-9)17-13(20)18(5)12(19)16-4/h6-8H,1-5H3,(H,16,19)(H,17,20)
InChIKeyBUUKILVEWOAVFB-UHFFFAOYSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
4-fluoro-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 61198056
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
CID 166428369
3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196363
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
3-[[butan-2-yl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196804
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea?
The IUPAC name of 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea (CID 23275444) is 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea is CNC(=O)N(C)C(=O)Nc1cc(C(C)(C)C)ccc1F.
What is the InChIKey of 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea?
The InChIKey is BUUKILVEWOAVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2,3)9-6-7-10(15)11(8-9)17-13(20)18(5)12(19)16-4/h6-8H,1-5H3,(H,16,19)(H,17,20).
What are the key properties of 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea?
1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea has a molecular weight of 281.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea is sourced from PubChem (CID 23275444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).