2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide

C17H18FN3O2 — CID 26543586

IUPAC2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C17H18FN3O2/c1-11-7-8-12(9-14(11)18)21-16(22)10-20-15-6-4-3-5-13(15)17(23)19-2/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyTWHPILPNGXMICI-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 26543586) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID26543586
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C17H18FN3O2/c1-11-7-8-12(9-14(11)18)21-16(22)10-20-15-6-4-3-5-13(15)17(23)19-2/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyTWHPILPNGXMICI-UHFFFAOYSA-N
XLogP2.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543572
N-(2-benzoylphenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 8830519
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
methyl 2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471968
2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 26543694
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 26543586) is 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NCC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is TWHPILPNGXMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-7-8-12(9-14(11)18)21-16(22)10-20-15-6-4-3-5-13(15)17(23)19-2/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 26543586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).