N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide

C24H22BrN3O4 — CID 17455733

IUPACN-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NCc2ccccc2)c1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C24H22BrN3O4/c25-20-11-4-5-12-21(20)28-22(29)15-26-23(30)16-32-19-10-6-9-18(13-19)24(31)27-14-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,26,30)(H,27,31)(H,28,29)
InChIKeySECRLAXBWAJEDD-UHFFFAOYSA-N
MW496.36 g/mol
LogP3.51
Rot. Bonds9

About N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide

N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 17455733) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
PubChem CID17455733
Molecular FormulaC24H22BrN3O4
Molecular Weight496.36 g/mol
Exact Mass495.08
IUPAC NameN-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NCc2ccccc2)c1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C24H22BrN3O4/c25-20-11-4-5-12-21(20)28-22(29)15-26-23(30)16-32-19-10-6-9-18(13-19)24(31)27-14-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,26,30)(H,27,31)(H,28,29)
InChIKeySECRLAXBWAJEDD-UHFFFAOYSA-N
XLogP3.51
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.36
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
N-benzyl-3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 7590033
N-benzyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 9253229
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891404
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736
2-[[2-(3-carbamoylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55910870
N-(2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 46665237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide (CID 17455733) is N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide is O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is SECRLAXBWAJEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c25-20-11-4-5-12-21(20)28-22(29)15-26-23(30)16-32-19-10-6-9-18(13-19)24(31)27-14-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide?
N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 496.36 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 17455733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).