N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide

C14H11ClFN3O2 — CID 7585047

IUPACN'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O2/c15-11-7-10(1-2-12(11)16)19-14(21)13(20)18-8-9-3-5-17-6-4-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyFDBDDXPBULUACP-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.13
Rot. Bonds3

About N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 7585047) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID7585047
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O2/c15-11-7-10(1-2-12(11)16)19-14(21)13(20)18-8-9-3-5-17-6-4-9/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyFDBDDXPBULUACP-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': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 7585047) is N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is FDBDDXPBULUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c15-11-7-10(1-2-12(11)16)19-14(21)13(20)18-8-9-3-5-17-6-4-9/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)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'-(3-chloro-4-fluorophenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 7585047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).