5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide

C13H17FN4O3 — CID 49285829

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCC(=O)N(C)C)ccc1F
InChIInChI=1S/C13H17FN4O3/c1-15-12(20)9-6-8(4-5-10(9)14)17-13(21)16-7-11(19)18(2)3/h4-6H,7H2,1-3H3,(H,15,20)(H2,16,17,21)
InChIKeyGTJBCRUZBDRVIU-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.40
Rot. Bonds4

About 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide

5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide (PubChem CID 49285829) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
PubChem CID49285829
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCC(=O)N(C)C)ccc1F
InChIInChI=1S/C13H17FN4O3/c1-15-12(20)9-6-8(4-5-10(9)14)17-13(21)16-7-11(19)18(2)3/h4-6H,7H2,1-3H3,(H,15,20)(H2,16,17,21)
InChIKeyGTJBCRUZBDRVIU-UHFFFAOYSA-N
XLogP0.40
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
CID 100616994
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
CID 27868583
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437
2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
CID 96533531
5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 74242097
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-fluorobenzoic acid
CID 61199325
5-chloro-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 61197814

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide (CID 49285829) is 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(NC(=O)NCC(=O)N(C)C)ccc1F.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
The InChIKey is GTJBCRUZBDRVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3/c1-15-12(20)9-6-8(4-5-10(9)14)17-13(21)16-7-11(19)18(2)3/h4-6H,7H2,1-3H3,(H,15,20)(H2,16,17,21).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide?
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide has a molecular weight of 296.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 49285829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).