[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

C21H20BrN3O5 — CID 31145082

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(Br)c1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H20BrN3O5/c22-14-5-3-4-13(10-14)20(28)23-11-19(27)30-12-18(26)25-17-7-2-1-6-16(17)21(29)24-15-8-9-15/h1-7,10,15H,8-9,11-12H2,(H,23,28)(H,24,29)(H,25,26)
InChIKeyYFFBLZOXUWIMHU-UHFFFAOYSA-N
MW474.31 g/mol
LogP2.25
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 31145082) has the molecular formula C21H20BrN3O5 and a molecular weight of 474.31 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID31145082
Molecular FormulaC21H20BrN3O5
Molecular Weight474.31 g/mol
Exact Mass473.06
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(Br)c1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H20BrN3O5/c22-14-5-3-4-13(10-14)20(28)23-11-19(27)30-12-18(26)25-17-7-2-1-6-16(17)21(29)24-15-8-9-15/h1-7,10,15H,8-9,11-12H2,(H,23,28)(H,24,29)(H,25,26)
InChIKeyYFFBLZOXUWIMHU-UHFFFAOYSA-N
XLogP2.25
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.31
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838966
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate
CID 24557017
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 31145900
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
ethyl 2-[[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7885385
[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625531
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 35947495
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 8736621
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (CID 31145082) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1cccc(Br)c1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is YFFBLZOXUWIMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O5/c22-14-5-3-4-13(10-14)20(28)23-11-19(27)30-12-18(26)25-17-7-2-1-6-16(17)21(29)24-15-8-9-15/h1-7,10,15H,8-9,11-12H2,(H,23,28)(H,24,29)(H,25,26).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 474.31 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 31145082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).