2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide

C21H20ClN3O2 — CID 162355023

IUPAC2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
SMILESO=C(Nc1ccc(CNCCO)cn1)c1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C21H20ClN3O2/c22-20-17(16-5-2-1-3-6-16)7-4-8-18(20)21(27)25-19-10-9-15(14-24-19)13-23-11-12-26/h1-10,14,23,26H,11-13H2,(H,24,25,27)
InChIKeyOLILDLLDSXDXPI-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.74
Rot. Bonds7

About 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide

2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide (PubChem CID 162355023) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
PubChem CID162355023
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
SMILESO=C(Nc1ccc(CNCCO)cn1)c1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C21H20ClN3O2/c22-20-17(16-5-2-1-3-6-16)7-4-8-18(20)21(27)25-19-10-9-15(14-24-19)13-23-11-12-26/h1-10,14,23,26H,11-13H2,(H,24,25,27)
InChIKeyOLILDLLDSXDXPI-UHFFFAOYSA-N
XLogP3.74
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
The IUPAC name of 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide (CID 162355023) is 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
The canonical SMILES for 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide is O=C(Nc1ccc(CNCCO)cn1)c1cccc(-c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
The InChIKey is OLILDLLDSXDXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-20-17(16-5-2-1-3-6-16)7-4-8-18(20)21(27)25-19-10-9-15(14-24-19)13-23-11-12-26/h1-10,14,23,26H,11-13H2,(H,24,25,27).
What are the key properties of 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide has a molecular weight of 381.86 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide is sourced from PubChem (CID 162355023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).