N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide

C15H14ClN3O2 — CID 44999763

IUPACN'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-13-12(7-4-9-17-13)19-15(21)14(20)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,18,20)(H,19,21)
InChIKeyVDWPEUIZFXUHSZ-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.03
Rot. Bonds4

About N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide

N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide (PubChem CID 44999763) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
PubChem CID44999763
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-13-12(7-4-9-17-13)19-15(21)14(20)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,18,20)(H,19,21)
InChIKeyVDWPEUIZFXUHSZ-UHFFFAOYSA-N
XLogP2.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108520506
2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
CID 10990375
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 44999738
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide (CID 44999763) is N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide?
The InChIKey is VDWPEUIZFXUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-12(7-4-9-17-13)19-15(21)14(20)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide?
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide has a molecular weight of 303.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 44999763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).