N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide

C18H15N3O4 — CID 32878628

IUPACN-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)c1ccco1
InChIInChI=1S/C18H15N3O4/c22-18(17-5-2-10-25-17)20-15-4-1-3-13(11-15)12-19-14-6-8-16(9-7-14)21(23)24/h1-11,19H,12H2,(H,20,22)
InChIKeyZVIDLNXREZPRCE-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide

N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide (PubChem CID 32878628) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
PubChem CID32878628
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)c1ccco1
InChIInChI=1S/C18H15N3O4/c22-18(17-5-2-10-25-17)20-15-4-1-3-13(11-15)12-19-14-6-8-16(9-7-14)21(23)24/h1-11,19H,12H2,(H,20,22)
InChIKeyZVIDLNXREZPRCE-UHFFFAOYSA-N
XLogP4.05
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.05
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-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 15993765
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
CID 17148146
N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904625
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
2-[[3-(furan-2-carbonylamino)phenyl]iminomethyl]-4-nitrophenolate
CID 6964779
N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 112808765
N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide (CID 32878628) is N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)c1ccco1.
What is the InChIKey of N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is ZVIDLNXREZPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-18(17-5-2-10-25-17)20-15-4-1-3-13(11-15)12-19-14-6-8-16(9-7-14)21(23)24/h1-11,19H,12H2,(H,20,22).
What are the key properties of N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide?
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 32878628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).