N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide

C22H22N4O5 — CID 30898789

IUPACN-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C22H22N4O5/c1-3-25(4-2)16-11-9-15(10-12-16)23-21(27)17-7-5-6-8-18(17)24-22(28)19-13-14-20(31-19)26(29)30/h5-14H,3-4H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNYESYYJEVLMOOZ-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.54
Rot. Bonds8

About N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide

N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 30898789) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID30898789
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C22H22N4O5/c1-3-25(4-2)16-11-9-15(10-12-16)23-21(27)17-7-5-6-8-18(17)24-22(28)19-13-14-20(31-19)26(29)30/h5-14H,3-4H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyNYESYYJEVLMOOZ-UHFFFAOYSA-N
XLogP4.54
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
2-chloro-N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-4-nitrobenzamide
CID 30898786
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 51148461
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 24692016
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide (CID 30898789) is N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is NYESYYJEVLMOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-3-25(4-2)16-11-9-15(10-12-16)23-21(27)17-7-5-6-8-18(17)24-22(28)19-13-14-20(31-19)26(29)30/h5-14H,3-4H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide?
N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 30898789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).