N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

C17H18N2O5 — CID 7465174

IUPACN-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CCCC3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-23-12-6-7-13(14(10-12)19(21)22)15-8-9-16(24-15)17(20)18-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,18,20)
InChIKeyRQHNXLZTWNBLOW-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.54
Rot. Bonds5

About N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (PubChem CID 7465174) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
PubChem CID7465174
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CCCC3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-23-12-6-7-13(14(10-12)19(21)22)15-8-9-16(24-15)17(20)18-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,18,20)
InChIKeyRQHNXLZTWNBLOW-UHFFFAOYSA-N
XLogP3.54
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 9150497
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
5-(4-ethoxy-2-nitrophenyl)furan-2-carboxylic acid
CID 56736978
N-(3-bromo-4-morpholin-4-ylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220784
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 18180444
4-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4036371

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (CID 7465174) is N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)NC3CCCC3)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is RQHNXLZTWNBLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-12-6-7-13(14(10-12)19(21)22)15-8-9-16(24-15)17(20)18-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 7465174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).