[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

C16H13Cl2N3O4 — CID 4787154

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13Cl2N3O4/c17-11-3-1-10(2-4-11)16(24)20-8-15(23)25-9-14(22)21-13-6-5-12(18)7-19-13/h1-7H,8-9H2,(H,20,24)(H,19,21,22)
InChIKeyDSTMXNWCNGMHMT-UHFFFAOYSA-N
MW382.20 g/mol
LogP2.30
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 4787154) has the molecular formula C16H13Cl2N3O4 and a molecular weight of 382.20 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID4787154
Molecular FormulaC16H13Cl2N3O4
Molecular Weight382.20 g/mol
Exact Mass381.03
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13Cl2N3O4/c17-11-3-1-10(2-4-11)16(24)20-8-15(23)25-9-14(22)21-13-6-5-12(18)7-19-13/h1-7H,8-9H2,(H,20,24)(H,19,21,22)
InChIKeyDSTMXNWCNGMHMT-UHFFFAOYSA-N
XLogP2.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 4787154) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is DSTMXNWCNGMHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O4/c17-11-3-1-10(2-4-11)16(24)20-8-15(23)25-9-14(22)21-13-6-5-12(18)7-19-13/h1-7H,8-9H2,(H,20,24)(H,19,21,22).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 382.20 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 4787154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).