N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide

C19H15ClN2O2 — CID 875547

IUPACN-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H15ClN2O2/c20-16-8-11-18(21-12-16)22-19(23)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22,23)
InChIKeyNTOFRIMRSVDNML-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.57
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide

N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide (PubChem CID 875547) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide
PubChem CID875547
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H15ClN2O2/c20-16-8-11-18(21-12-16)22-19(23)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22,23)
InChIKeyNTOFRIMRSVDNML-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide (CID 875547) is N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide is O=C(Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide?
The InChIKey is NTOFRIMRSVDNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-16-8-11-18(21-12-16)22-19(23)15-6-9-17(10-7-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide?
N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide has a molecular weight of 338.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 875547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).