N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide

C19H15ClN2O4 — CID 46862856

IUPACN-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H15ClN2O4/c1-13-6-11-16(26-13)12-21(15-9-7-14(20)8-10-15)19(23)17-4-2-3-5-18(17)22(24)25/h2-11H,12H2,1H3
InChIKeyMWFCWBHNWYTBHJ-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.00
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide

N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide (PubChem CID 46862856) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
PubChem CID46862856
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC NameN-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H15ClN2O4/c1-13-6-11-16(26-13)12-21(15-9-7-14(20)8-10-15)19(23)17-4-2-3-5-18(17)22(24)25/h2-11H,12H2,1H3
InChIKeyMWFCWBHNWYTBHJ-UHFFFAOYSA-N
XLogP5.00
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 55.00
H-Bond Donors ≤ 50
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-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide (CID 46862856) is N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide is Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide?
The InChIKey is MWFCWBHNWYTBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-13-6-11-16(26-13)12-21(15-9-7-14(20)8-10-15)19(23)17-4-2-3-5-18(17)22(24)25/h2-11H,12H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide?
N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide has a molecular weight of 370.79 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 46862856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).