N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

C18H12BrN3O5 — CID 15993765

IUPACN-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)c1ccco1
InChIInChI=1S/C18H12BrN3O5/c19-15-7-6-13(22(25)26)10-14(15)17(23)20-11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10H,(H,20,23)(H,21,24)
InChIKeyOLBPFSVWGWTEIN-UHFFFAOYSA-N
MW430.21 g/mol
LogP4.45
Rot. Bonds5

About N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 15993765) has the molecular formula C18H12BrN3O5 and a molecular weight of 430.21 g/mol. Its IUPAC name is N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID15993765
Molecular FormulaC18H12BrN3O5
Molecular Weight430.21 g/mol
Exact Mass429.00
IUPAC NameN-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)c1ccco1
InChIInChI=1S/C18H12BrN3O5/c19-15-7-6-13(22(25)26)10-14(15)17(23)20-11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10H,(H,20,23)(H,21,24)
InChIKeyOLBPFSVWGWTEIN-UHFFFAOYSA-N
XLogP4.45
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.21
LogP ≤ 54.45
H-Bond Donors ≤ 52
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

N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
CID 17148146
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62904187
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitrobenzamide
CID 1370156
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
2-[[3-(furan-2-carbonylamino)phenyl]iminomethyl]-4-nitrophenolate
CID 6964779
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 4042858

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (CID 15993765) is N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1)c1ccco1.
What is the InChIKey of N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is OLBPFSVWGWTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O5/c19-15-7-6-13(22(25)26)10-14(15)17(23)20-11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10H,(H,20,23)(H,21,24).
What are the key properties of N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 430.21 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 15993765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).