N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide

C14H13ClN2O4 — CID 705795

IUPACN-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H13ClN2O4/c1-9-2-4-11(21-9)5-7-14(18)16-10-3-6-12(15)13(8-10)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,16,18)
InChIKeyIALCPDWUFZISDS-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.72
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide

N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 705795) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID705795
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H13ClN2O4/c1-9-2-4-11(21-9)5-7-14(18)16-10-3-6-12(15)13(8-10)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,16,18)
InChIKeyIALCPDWUFZISDS-UHFFFAOYSA-N
XLogP3.72
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide (CID 705795) is N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is IALCPDWUFZISDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-9-2-4-11(21-9)5-7-14(18)16-10-3-6-12(15)13(8-10)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 308.72 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 705795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).