ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate

C21H18ClN3O3 — CID 113022610

IUPACethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-21(27)16-8-4-6-10-18(16)25-19-12-11-14(13-23-19)24-20(26)15-7-3-5-9-17(15)22/h3-13H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyDDDLAGGQVAHHHD-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.91
Rot. Bonds6

About ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate

ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate (PubChem CID 113022610) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
PubChem CID113022610
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Nameethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-21(27)16-8-4-6-10-18(16)25-19-12-11-14(13-23-19)24-20(26)15-7-3-5-9-17(15)22/h3-13H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyDDDLAGGQVAHHHD-UHFFFAOYSA-N
XLogP4.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate (CID 113022610) is ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The InChIKey is DDDLAGGQVAHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-2-28-21(27)16-8-4-6-10-18(16)25-19-12-11-14(13-23-19)24-20(26)15-7-3-5-9-17(15)22/h3-13H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate has a molecular weight of 395.85 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113022610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).