2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

C15H14ClN3O2 — CID 18138289

IUPAC2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccncc1
InChIInChI=1S/C15H14ClN3O2/c16-13-4-2-1-3-12(13)15(21)18-10-7-14(20)19-11-5-8-17-9-6-11/h1-6,8-9H,7,10H2,(H,18,21)(H,17,19,20)
InChIKeyPACRERVHVCQMSM-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.49
Rot. Bonds5

About 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide

2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide (PubChem CID 18138289) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
PubChem CID18138289
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccncc1
InChIInChI=1S/C15H14ClN3O2/c16-13-4-2-1-3-12(13)15(21)18-10-7-14(20)19-11-5-8-17-9-6-11/h1-6,8-9H,7,10H2,(H,18,21)(H,17,19,20)
InChIKeyPACRERVHVCQMSM-UHFFFAOYSA-N
XLogP2.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide (CID 18138289) is 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccncc1.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
The InChIKey is PACRERVHVCQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-4-2-1-3-12(13)15(21)18-10-7-14(20)19-11-5-8-17-9-6-11/h1-6,8-9H,7,10H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide?
2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide has a molecular weight of 303.75 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide is sourced from PubChem (CID 18138289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).