N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide

C19H15ClN2OSe — CID 19890959

IUPACN-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1[Se]Cc1ccncc1
InChIInChI=1S/C19H15ClN2OSe/c20-15-5-7-16(8-6-15)22-19(23)17-3-1-2-4-18(17)24-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeyPQIIKMOBWRMGHM-UHFFFAOYSA-N
MW401.76 g/mol
LogP3.52
Rot. Bonds5

About N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide

N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide (PubChem CID 19890959) has the molecular formula C19H15ClN2OSe and a molecular weight of 401.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide
PubChem CID19890959
Molecular FormulaC19H15ClN2OSe
Molecular Weight401.76 g/mol
Exact Mass402.00
IUPAC NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1[Se]Cc1ccncc1
InChIInChI=1S/C19H15ClN2OSe/c20-15-5-7-16(8-6-15)22-19(23)17-3-1-2-4-18(17)24-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeyPQIIKMOBWRMGHM-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-yl-2-(pyridin-3-ylmethylselanyl)benzamide;dihydrochloride
CID 19890947
N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride
CID 19890935
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270765
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide (CID 19890959) is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1[Se]Cc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide?
The InChIKey is PQIIKMOBWRMGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OSe/c20-15-5-7-16(8-6-15)22-19(23)17-3-1-2-4-18(17)24-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide?
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide has a molecular weight of 401.76 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide is sourced from PubChem (CID 19890959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).