2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide

C19H15Cl2N3O — CID 1254200

IUPAC2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1cccc(NCc2cccnc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O/c20-14-6-7-17(18(21)9-14)19(25)24-16-5-1-4-15(10-16)23-12-13-3-2-8-22-11-13/h1-11,23H,12H2,(H,24,25)
InChIKeySIHPHPNKHHRFPN-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.25
Rot. Bonds5

About 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide

2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide (PubChem CID 1254200) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
PubChem CID1254200
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1cccc(NCc2cccnc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O/c20-14-6-7-17(18(21)9-14)19(25)24-16-5-1-4-15(10-16)23-12-13-3-2-8-22-11-13/h1-11,23H,12H2,(H,24,25)
InChIKeySIHPHPNKHHRFPN-UHFFFAOYSA-N
XLogP5.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(pyridin-3-ylmethylamino)benzoic acid
CID 16767368
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283424
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide (CID 1254200) is 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide is O=C(Nc1cccc(NCc2cccnc2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide?
The InChIKey is SIHPHPNKHHRFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-14-6-7-17(18(21)9-14)19(25)24-16-5-1-4-15(10-16)23-12-13-3-2-8-22-11-13/h1-11,23H,12H2,(H,24,25).
What are the key properties of 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide?
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide has a molecular weight of 372.26 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 1254200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).