2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide

C14H12ClN3O2 — CID 27700310

IUPAC2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccncc1
InChIInChI=1S/C14H12ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-9-13(19)18-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,20)(H,16,18,19)
InChIKeyJJRFVRVVCKSILP-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.10
Rot. Bonds4

About 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide

2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide (PubChem CID 27700310) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
PubChem CID27700310
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccncc1
InChIInChI=1S/C14H12ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-9-13(19)18-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,20)(H,16,18,19)
InChIKeyJJRFVRVVCKSILP-UHFFFAOYSA-N
XLogP2.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide (CID 27700310) is 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccncc1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
The InChIKey is JJRFVRVVCKSILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-4-2-1-3-11(12)14(20)17-9-13(19)18-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,20)(H,16,18,19).
What are the key properties of 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide has a molecular weight of 289.72 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide is sourced from PubChem (CID 27700310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).