ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate

C16H15Cl2N3O3 — CID 15617222

IUPACethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3O3/c1-2-24-14(22)9-19-15-12(7-8-13(18)21-15)20-16(23)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H,20,23)
InChIKeyTWFAFFHLBWDFQX-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.62
Rot. Bonds6

About ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate

ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate (PubChem CID 15617222) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate
PubChem CID15617222
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Nameethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2N3O3/c1-2-24-14(22)9-19-15-12(7-8-13(18)21-15)20-16(23)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H,20,23)
InChIKeyTWFAFFHLBWDFQX-UHFFFAOYSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]propanoate
CID 15617224
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide
CID 90757999
ethyl 4-[(4-chlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82877565
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
CID 102761686
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 3-chloro-4-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate
CID 30396105
ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
CID 178141792

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate (CID 15617222) is ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate is CCOC(=O)CNc1nc(Cl)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate?
The InChIKey is TWFAFFHLBWDFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-2-24-14(22)9-19-15-12(7-8-13(18)21-15)20-16(23)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H,20,23).
What are the key properties of ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate?
ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate has a molecular weight of 368.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-chloro-3-[(4-chlorobenzoyl)amino]-2-pyridinyl]amino]acetate is sourced from PubChem (CID 15617222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).