N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

C18H12Cl2N2O4 — CID 1123621

IUPACN-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H12Cl2N2O4/c1-10-8-12(22(24)25)3-4-13(10)16-6-7-17(26-16)18(23)21-11-2-5-14(19)15(20)9-11/h2-9H,1H3,(H,21,23)
InChIKeyRBKRPFWWSNGIRE-UHFFFAOYSA-N
MW391.21 g/mol
LogP5.72
Rot. Bonds4

About N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide (PubChem CID 1123621) has the molecular formula C18H12Cl2N2O4 and a molecular weight of 391.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
PubChem CID1123621
Molecular FormulaC18H12Cl2N2O4
Molecular Weight391.21 g/mol
Exact Mass390.02
IUPAC NameN-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H12Cl2N2O4/c1-10-8-12(22(24)25)3-4-13(10)16-6-7-17(26-16)18(23)21-11-2-5-14(19)15(20)9-11/h2-9H,1H3,(H,21,23)
InChIKeyRBKRPFWWSNGIRE-UHFFFAOYSA-N
XLogP5.72
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.21
LogP ≤ 55.72
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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Related Compounds

N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 23849697
N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 91678218
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
CID 2268422
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
N-[(3-chloro-4-methylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5174614
N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3898636
5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 110699992

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide (CID 1123621) is N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is RBKRPFWWSNGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O4/c1-10-8-12(22(24)25)3-4-13(10)16-6-7-17(26-16)18(23)21-11-2-5-14(19)15(20)9-11/h2-9H,1H3,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 391.21 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1123621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).