N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide

C20H18N2O4 — CID 5262323

IUPACN-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-6-8-15(9-7-13)14(2)21-20(23)19-11-10-18(26-19)16-4-3-5-17(12-16)22(24)25/h3-12,14H,1-2H3,(H,21,23)
InChIKeyLXDUZQZFFICYKA-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.65
Rot. Bonds5

About N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide

N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 5262323) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID5262323
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-6-8-15(9-7-13)14(2)21-20(23)19-11-10-18(26-19)16-4-3-5-17(12-16)22(24)25/h3-12,14H,1-2H3,(H,21,23)
InChIKeyLXDUZQZFFICYKA-UHFFFAOYSA-N
XLogP4.65
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.65
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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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 30397617
5-(3-nitrophenyl)-N-[(4-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide
CID 5028502
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 738264
5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9089410
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
2-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 95943564
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94837416
N-[(4-methyl-2-pyridinyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5029064

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide (CID 5262323) is N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is LXDUZQZFFICYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-6-8-15(9-7-13)14(2)21-20(23)19-11-10-18(26-19)16-4-3-5-17(12-16)22(24)25/h3-12,14H,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 5262323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).