N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide

C14H13ClN2O3 — CID 3107339

IUPACN'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C14H13ClN2O3/c1-9-7-10(15)4-5-12(9)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyQNAXDQVIRSIDPK-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.50
Rot. Bonds3

About N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide

N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 3107339) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide
PubChem CID3107339
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C14H13ClN2O3/c1-9-7-10(15)4-5-12(9)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyQNAXDQVIRSIDPK-UHFFFAOYSA-N
XLogP2.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.50
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'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide (CID 3107339) is N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccco1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is QNAXDQVIRSIDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-7-10(15)4-5-12(9)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 292.72 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 3107339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).