2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide

C24H23FN4O3 — CID 86881942

IUPAC2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H23FN4O3/c1-15-6-5-9-20(22(15)24(32)26-2)27-14-21(30)29-19-8-4-3-7-18(19)23(31)28-17-12-10-16(25)11-13-17/h3-13,27H,14H2,1-2H3,(H,26,32)(H,28,31)(H,29,30)
InChIKeyFKIVTECJLOCYLV-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.80
Rot. Bonds7

About 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide

2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide (PubChem CID 86881942) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
PubChem CID86881942
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H23FN4O3/c1-15-6-5-9-20(22(15)24(32)26-2)27-14-21(30)29-19-8-4-3-7-18(19)23(31)28-17-12-10-16(25)11-13-17/h3-13,27H,14H2,1-2H3,(H,26,32)(H,28,31)(H,29,30)
InChIKeyFKIVTECJLOCYLV-UHFFFAOYSA-N
XLogP3.80
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
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-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
CID 71835143
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide?
The IUPAC name of 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide (CID 86881942) is 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide.
What is the SMILES notation for 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide?
The canonical SMILES for 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide is CNC(=O)c1c(C)cccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide?
The InChIKey is FKIVTECJLOCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15-6-5-9-20(22(15)24(32)26-2)27-14-21(30)29-19-8-4-3-7-18(19)23(31)28-17-12-10-16(25)11-13-17/h3-13,27H,14H2,1-2H3,(H,26,32)(H,28,31)(H,29,30).
What are the key properties of 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide?
2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide has a molecular weight of 434.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide is sourced from PubChem (CID 86881942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).