N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide

C18H19FN2O2 — CID 9216095

IUPACN-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C18H19FN2O2/c1-11-4-6-14(8-13(11)3)18(23)20-10-17(22)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyXWFKLKWFMRTBAA-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 9216095) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID9216095
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C18H19FN2O2/c1-11-4-6-14(8-13(11)3)18(23)20-10-17(22)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyXWFKLKWFMRTBAA-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290660
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide
CID 50780617
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 9216095) is N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(F)c2)cc1C.
What is the InChIKey of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is XWFKLKWFMRTBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-4-6-14(8-13(11)3)18(23)20-10-17(22)21-15-7-5-12(2)16(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9216095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).