2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

C16H15Cl2N3O2 — CID 47076367

IUPAC2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1cc(Cl)ccc1Cl)NCc1cccnc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-3-4-14(18)13(8-12)16(23)20-7-5-15(22)21-10-11-2-1-6-19-9-11/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H,21,22)
InChIKeyIHMNPKJOSRZPOE-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.82
Rot. Bonds6

About 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (PubChem CID 47076367) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
PubChem CID47076367
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1cc(Cl)ccc1Cl)NCc1cccnc1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-3-4-14(18)13(8-12)16(23)20-7-5-15(22)21-10-11-2-1-6-19-9-11/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H,21,22)
InChIKeyIHMNPKJOSRZPOE-UHFFFAOYSA-N
XLogP2.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62185051
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 60612809
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (CID 47076367) is 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is O=C(CCNC(=O)c1cc(Cl)ccc1Cl)NCc1cccnc1.
What is the InChIKey of 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The InChIKey is IHMNPKJOSRZPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-3-4-14(18)13(8-12)16(23)20-7-5-15(22)21-10-11-2-1-6-19-9-11/h1-4,6,8-9H,5,7,10H2,(H,20,23)(H,21,22).
What are the key properties of 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide has a molecular weight of 352.22 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 47076367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).