3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

C19H16ClN3O — CID 112983148

IUPAC3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccncc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O/c20-16-3-1-2-15(12-16)19(24)23-18-6-4-17(5-7-18)22-13-14-8-10-21-11-9-14/h1-12,22H,13H2,(H,23,24)
InChIKeyADSAJXTVKAHHSB-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.60
Rot. Bonds5

About 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (PubChem CID 112983148) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
PubChem CID112983148
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccncc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O/c20-16-3-1-2-15(12-16)19(24)23-18-6-4-17(5-7-18)22-13-14-8-10-21-11-9-14/h1-12,22H,13H2,(H,23,24)
InChIKeyADSAJXTVKAHHSB-UHFFFAOYSA-N
XLogP4.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
3-chloro-N-(4-methylphenyl)benzamide
CID 722375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (CID 112983148) is 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is O=C(Nc1ccc(NCc2ccncc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The InChIKey is ADSAJXTVKAHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-3-1-2-15(12-16)19(24)23-18-6-4-17(5-7-18)22-13-14-8-10-21-11-9-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide has a molecular weight of 337.81 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112983148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).