[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate

C15H13ClN2O3 — CID 1088766

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1
InChIInChI=1S/C15H13ClN2O3/c1-10-4-5-12(16)7-13(10)18-14(19)9-21-15(20)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZRDDSRBBKCQCIO-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.84
Rot. Bonds4

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 1088766) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID1088766
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1
InChIInChI=1S/C15H13ClN2O3/c1-10-4-5-12(16)7-13(10)18-14(19)9-21-15(20)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZRDDSRBBKCQCIO-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylbenzoate
CID 956324
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413396
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-nitrobenzoate
CID 2623655
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507889
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588252
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2669391
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509015
[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
CID 1088668
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624004
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate (CID 1088766) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate is Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is ZRDDSRBBKCQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-4-5-12(16)7-13(10)18-14(19)9-21-15(20)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 304.73 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 1088766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).