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

C17H10Cl2N2O4 — CID 1110114

IUPACN-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H10Cl2N2O4/c18-11-4-5-13(19)14(9-11)20-17(22)16-7-6-15(25-16)10-2-1-3-12(8-10)21(23)24/h1-9H,(H,20,22)
InChIKeyAPGCTZVRNICQRX-UHFFFAOYSA-N
MW377.18 g/mol
LogP5.41
Rot. Bonds4

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

N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 1110114) has the molecular formula C17H10Cl2N2O4 and a molecular weight of 377.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID1110114
Molecular FormulaC17H10Cl2N2O4
Molecular Weight377.18 g/mol
Exact Mass376.00
IUPAC NameN-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H10Cl2N2O4/c18-11-4-5-13(19)14(9-11)20-17(22)16-7-6-15(25-16)10-2-1-3-12(8-10)21(23)24/h1-9H,(H,20,22)
InChIKeyAPGCTZVRNICQRX-UHFFFAOYSA-N
XLogP5.41
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.18
LogP ≤ 55.41
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-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5038151
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 2233721
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3854248
N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3593536
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5219209
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 1110114) is N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is APGCTZVRNICQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O4/c18-11-4-5-13(19)14(9-11)20-17(22)16-7-6-15(25-16)10-2-1-3-12(8-10)21(23)24/h1-9H,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 377.18 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1110114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).