ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate

C16H15ClN2O3 — CID 18980380

IUPACethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)cc1N(C(C)=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O3/c1-3-22-16(21)15-14(9-12(17)10-18-15)19(11(2)20)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3
InChIKeyBWJKLEYLBIYSKD-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.60
Rot. Bonds4

About ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate

ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate (PubChem CID 18980380) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate
PubChem CID18980380
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Nameethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)cc1N(C(C)=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O3/c1-3-22-16(21)15-14(9-12(17)10-18-15)19(11(2)20)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3
InChIKeyBWJKLEYLBIYSKD-UHFFFAOYSA-N
XLogP3.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 3-acetamido-5-chloropyridine-2-carboxylate
CID 18980357
N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide
CID 122690115
4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 141464389
N-(2-iodo-5-methylphenyl)-N-phenylacetamide
CID 175052912
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl (Z)-3-hydroxy-2-(N-phenylanilino)but-2-enoate
CID 54687376
ethyl (6E)-6-benzylidene-1-(3,5-dichloro-2-pyridinyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
CID 6286598
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
N-(2-hydroxyphenyl)-N-phenylacetamide
CID 72942625

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate?
The IUPAC name of ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate (CID 18980380) is ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate is CCOC(=O)c1ncc(Cl)cc1N(C(C)=O)c1ccccc1.
What is the InChIKey of ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate?
The InChIKey is BWJKLEYLBIYSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-3-22-16(21)15-14(9-12(17)10-18-15)19(11(2)20)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate?
ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate has a molecular weight of 318.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate is sourced from PubChem (CID 18980380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).