2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

C13H17FN2O2 — CID 61046623

IUPAC2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-3-8-16(9-12(17)15-2)13(18)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyXCQCVPUGEDSRAJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.42
Rot. Bonds5

About 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 61046623) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID61046623
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-3-8-16(9-12(17)15-2)13(18)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyXCQCVPUGEDSRAJ-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
CID 82324785
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103882596
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558264
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
N-methyl-2-[[2-(2-methylphenyl)-2-oxoethyl]-propylamino]acetamide
CID 62036541

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (CID 61046623) is 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)NC)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is XCQCVPUGEDSRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-8-16(9-12(17)15-2)13(18)10-6-4-5-7-11(10)14/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 61046623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).