N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide

C17H11BrN2O4 — CID 1110113

IUPACN-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H11BrN2O4/c18-12-4-6-13(7-5-12)19-17(21)16-9-8-15(24-16)11-2-1-3-14(10-11)20(22)23/h1-10H,(H,19,21)
InChIKeyIINXIHKGAQGJML-UHFFFAOYSA-N
MW387.19 g/mol
LogP4.87
Rot. Bonds4

About N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide

N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 1110113) has the molecular formula C17H11BrN2O4 and a molecular weight of 387.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID1110113
Molecular FormulaC17H11BrN2O4
Molecular Weight387.19 g/mol
Exact Mass385.99
IUPAC NameN-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H11BrN2O4/c18-12-4-6-13(7-5-12)19-17(21)16-9-8-15(24-16)11-2-1-3-14(10-11)20(22)23/h1-10H,(H,19,21)
InChIKeyIINXIHKGAQGJML-UHFFFAOYSA-N
XLogP4.87
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 54.87
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-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 2718775
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 22777361
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17117249
5-(3-nitrophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115620
5-(3-nitrophenyl)-N-[(4-propan-2-ylphenyl)carbamothioyl]furan-2-carboxamide
CID 5028502

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 1110113) is N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is IINXIHKGAQGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O4/c18-12-4-6-13(7-5-12)19-17(21)16-9-8-15(24-16)11-2-1-3-14(10-11)20(22)23/h1-10H,(H,19,21).
What are the key properties of N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 387.19 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).