2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide

C11H14FN3O2 — CID 27868583

IUPAC2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-15(2)10(16)7-13-11(17)14-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H2,13,14,17)
InChIKeyBKZIJVYPDLAQOO-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.04
Rot. Bonds3

About 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide

2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide (PubChem CID 27868583) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
PubChem CID27868583
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2/c1-15(2)10(16)7-13-11(17)14-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H2,13,14,17)
InChIKeyBKZIJVYPDLAQOO-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-fluorobenzoic acid
CID 61199325
2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
CID 47041050
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
CID 47195585
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
3-(4-fluoroanilino)-N,N-dimethylbutanamide
CID 115916764
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide (CID 27868583) is 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide?
The InChIKey is BKZIJVYPDLAQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(2)10(16)7-13-11(17)14-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H2,13,14,17).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide?
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide has a molecular weight of 239.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 27868583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).