N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C26H27FN4O4 — CID 55797062

IUPACN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C26H27FN4O4/c1-31(2)16-24(32)29-19-9-7-8-18(14-19)15-28-26(34)20-10-3-6-13-23(20)35-17-25(33)30-22-12-5-4-11-21(22)27/h3-14H,15-17H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)
InChIKeyOFYJBJPVFQDYGH-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.27
Rot. Bonds10

About N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 55797062) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID55797062
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C26H27FN4O4/c1-31(2)16-24(32)29-19-9-7-8-18(14-19)15-28-26(34)20-10-3-6-13-23(20)35-17-25(33)30-22-12-5-4-11-21(22)27/h3-14H,15-17H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)
InChIKeyOFYJBJPVFQDYGH-UHFFFAOYSA-N
XLogP3.27
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
CID 55797280
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55962436
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55765507
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 33261900
N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26727992
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34373146

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 55797062) is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is CN(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is OFYJBJPVFQDYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-31(2)16-24(32)29-19-9-7-8-18(14-19)15-28-26(34)20-10-3-6-13-23(20)35-17-25(33)30-22-12-5-4-11-21(22)27/h3-14H,15-17H2,1-2H3,(H,28,34)(H,29,32)(H,30,33).
What are the key properties of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 478.52 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55797062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).