[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C16H12BrCl2N3O4 — CID 2377984

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H12BrCl2N3O4/c17-10-3-1-9(2-4-10)16(25)21-7-14(24)26-8-13(23)22-15-12(19)5-11(18)6-20-15/h1-6H,7-8H2,(H,21,25)(H,20,22,23)
InChIKeyBIVGJMANOPHMBQ-UHFFFAOYSA-N
MW461.10 g/mol
LogP3.06
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 2377984) has the molecular formula C16H12BrCl2N3O4 and a molecular weight of 461.10 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID2377984
Molecular FormulaC16H12BrCl2N3O4
Molecular Weight461.10 g/mol
Exact Mass458.94
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H12BrCl2N3O4/c17-10-3-1-9(2-4-10)16(25)21-7-14(24)26-8-13(23)22-15-12(19)5-11(18)6-20-15/h1-6H,7-8H2,(H,21,25)(H,20,22,23)
InChIKeyBIVGJMANOPHMBQ-UHFFFAOYSA-N
XLogP3.06
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.10
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3273541
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2373939
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 29219410
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 2385423
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 36533829
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789730
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 2434069
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643288
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2433334
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4531982
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2381180

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 2377984) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is BIVGJMANOPHMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2N3O4/c17-10-3-1-9(2-4-10)16(25)21-7-14(24)26-8-13(23)22-15-12(19)5-11(18)6-20-15/h1-6H,7-8H2,(H,21,25)(H,20,22,23).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 461.10 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 2377984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).