N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

C23H22N4O7 — CID 3968400

IUPACN-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C23H22N4O7/c1-32-20-7-4-15(24-23(29)21-3-2-10-34-21)13-18(20)25-22(28)17-14-16(27(30)31)5-6-19(17)26-8-11-33-12-9-26/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,24,29)(H,25,28)
InChIKeyXBQAHGRMCGWZHV-UHFFFAOYSA-N
MW466.45 g/mol
LogP3.54
Rot. Bonds7

About N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 3968400) has the molecular formula C23H22N4O7 and a molecular weight of 466.45 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID3968400
Molecular FormulaC23H22N4O7
Molecular Weight466.45 g/mol
Exact Mass466.15
IUPAC NameN-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C23H22N4O7/c1-32-20-7-4-15(24-23(29)21-3-2-10-34-21)13-18(20)25-22(28)17-14-16(27(30)31)5-6-19(17)26-8-11-33-12-9-26/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,24,29)(H,25,28)
InChIKeyXBQAHGRMCGWZHV-UHFFFAOYSA-N
XLogP3.54
TPSA136.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 16959344
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2984352
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
CID 2973346
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 18084314
N-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26364765
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (CID 3968400) is N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is XBQAHGRMCGWZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O7/c1-32-20-7-4-15(24-23(29)21-3-2-10-34-21)13-18(20)25-22(28)17-14-16(27(30)31)5-6-19(17)26-8-11-33-12-9-26/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 466.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3968400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).