N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C22H20BrN3O3 — CID 55959917

IUPACN-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H20BrN3O3/c23-17-8-10-18(11-9-17)26-22(29)14-25-21(28)13-24-20(27)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyDOJYVTZOGBKKNA-UHFFFAOYSA-N
MW454.32 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55959917) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55959917
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC NameN-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H20BrN3O3/c23-17-8-10-18(11-9-17)26-22(29)14-25-21(28)13-24-20(27)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyDOJYVTZOGBKKNA-UHFFFAOYSA-N
XLogP3.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55441060
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7478533
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide
CID 55981651
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9469312

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55959917) is N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is DOJYVTZOGBKKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c23-17-8-10-18(11-9-17)26-22(29)14-25-21(28)13-24-20(27)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14H2,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 454.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55959917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).