N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide

C19H14N4O7 — CID 42017854

IUPACN-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O7/c24-18(13-8-15(22(26)27)10-16(9-13)23(28)29)20-11-12-3-5-14(6-4-12)21-19(25)17-2-1-7-30-17/h1-10H,11H2,(H,20,24)(H,21,25)
InChIKeyCSNORQHPMPOPLG-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 42017854) has the molecular formula C19H14N4O7 and a molecular weight of 410.34 g/mol. Its IUPAC name is N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID42017854
Molecular FormulaC19H14N4O7
Molecular Weight410.34 g/mol
Exact Mass410.09
IUPAC NameN-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O7/c24-18(13-8-15(22(26)27)10-16(9-13)23(28)29)20-11-12-3-5-14(6-4-12)21-19(25)17-2-1-7-30-17/h1-10H,11H2,(H,20,24)(H,21,25)
InChIKeyCSNORQHPMPOPLG-UHFFFAOYSA-N
XLogP3.28
TPSA157.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(furan-2-carbonylamino)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55758919
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045
N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 112808765
N-[4-[[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42018140
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide (CID 42017854) is N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide is O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is CSNORQHPMPOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O7/c24-18(13-8-15(22(26)27)10-16(9-13)23(28)29)20-11-12-3-5-14(6-4-12)21-19(25)17-2-1-7-30-17/h1-10H,11H2,(H,20,24)(H,21,25).
What are the key properties of N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 410.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42017854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).