2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

C26H27FN4O4 — CID 55962436

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C26H27FN4O4/c1-17(2)29-26(34)30-19-13-11-18(12-14-19)15-28-25(33)20-7-3-6-10-23(20)35-16-24(32)31-22-9-5-4-8-21(22)27/h3-14,17H,15-16H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)
InChIKeyWFDUDIHEHQACDD-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.30
Rot. Bonds9

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (PubChem CID 55962436) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
PubChem CID55962436
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C26H27FN4O4/c1-17(2)29-26(34)30-19-13-11-18(12-14-19)15-28-25(33)20-7-3-6-10-23(20)35-16-24(32)31-22-9-5-4-8-21(22)27/h3-14,17H,15-16H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)
InChIKeyWFDUDIHEHQACDD-UHFFFAOYSA-N
XLogP4.30
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 60556369
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55797062
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55765507
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 33261900
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553843
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (CID 55962436) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The InChIKey is WFDUDIHEHQACDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-17(2)29-26(34)30-19-13-11-18(12-14-19)15-28-25(33)20-7-3-6-10-23(20)35-16-24(32)31-22-9-5-4-8-21(22)27/h3-14,17H,15-16H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide has a molecular weight of 478.52 g/mol, XLogP of 4.30, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 55962436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).