[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate

C19H18BrClN2O5 — CID 55320583

IUPAC[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)OC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H18BrClN2O5/c1-11(18(25)23-15-9-14(21)6-7-16(15)27-2)28-17(24)10-22-19(26)12-4-3-5-13(20)8-12/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyYTDWYLCKDDJZCD-UHFFFAOYSA-N
MW469.72 g/mol
LogP3.41
Rot. Bonds7

About [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 55320583) has the molecular formula C19H18BrClN2O5 and a molecular weight of 469.72 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID55320583
Molecular FormulaC19H18BrClN2O5
Molecular Weight469.72 g/mol
Exact Mass468.01
IUPAC Name[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)OC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H18BrClN2O5/c1-11(18(25)23-15-9-14(21)6-7-16(15)27-2)28-17(24)10-22-19(26)12-4-3-5-13(20)8-12/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyYTDWYLCKDDJZCD-UHFFFAOYSA-N
XLogP3.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.72
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate with MolForge

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Related Compounds

[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46629420
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 2495461
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylbenzoyl)amino]acetate
CID 42968661
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602043
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 42968944
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363834
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363856
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46791832
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419429
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419450
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950775

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate (CID 55320583) is [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate is COc1ccc(Cl)cc1NC(=O)C(C)OC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is YTDWYLCKDDJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O5/c1-11(18(25)23-15-9-14(21)6-7-16(15)27-2)28-17(24)10-22-19(26)12-4-3-5-13(20)8-12/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 469.72 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 55320583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).