N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide

C13H17F2N3O2 — CID 17424278

IUPACN-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-13(2,3)18-11(19)7-16-12(20)17-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKZHXLYPZYXQOTJ-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.00
Rot. Bonds3

About N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide

N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide (PubChem CID 17424278) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
PubChem CID17424278
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-13(2,3)18-11(19)7-16-12(20)17-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyKZHXLYPZYXQOTJ-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848
1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 62521942
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263881
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide (CID 17424278) is N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide is CC(C)(C)NC(=O)CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide?
The InChIKey is KZHXLYPZYXQOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-13(2,3)18-11(19)7-16-12(20)17-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide?
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide has a molecular weight of 285.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide is sourced from PubChem (CID 17424278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).