N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide

C14H11ClFN3O2 — CID 108520475

IUPACN'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClFN3O2/c15-12-11(6-3-7-17-12)19-14(21)13(20)18-8-9-4-1-2-5-10(9)16/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyYZCBDUQCHSTQGQ-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.13
Rot. Bonds3

About N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide

N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108520475) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID108520475
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC NameN'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClFN3O2/c15-12-11(6-3-7-17-12)19-14(21)13(20)18-8-9-4-1-2-5-10(9)16/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyYZCBDUQCHSTQGQ-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.13
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

1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxyphenyl)oxamide
CID 108514358
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108984915
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 44999738
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108531519
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide
CID 110922387

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide (CID 108520475) is N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide is O=C(NCc1ccccc1F)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is YZCBDUQCHSTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c15-12-11(6-3-7-17-12)19-14(21)13(20)18-8-9-4-1-2-5-10(9)16/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide?
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 307.71 g/mol, XLogP of 2.13, 3 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-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108520475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).