N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C21H18ClN3O5 — CID 1244911

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C21H18ClN3O5/c22-16-13-14(5-6-18(16)24-9-11-29-12-10-24)23-21(26)20-8-7-19(30-20)15-3-1-2-4-17(15)25(27)28/h1-8,13H,9-12H2,(H,23,26)
InChIKeyLQVSRYDSSROHQH-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.60
Rot. Bonds5

About N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 1244911) has the molecular formula C21H18ClN3O5 and a molecular weight of 427.84 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID1244911
Molecular FormulaC21H18ClN3O5
Molecular Weight427.84 g/mol
Exact Mass427.09
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C21H18ClN3O5/c22-16-13-14(5-6-18(16)24-9-11-29-12-10-24)23-21(26)20-8-7-19(30-20)15-3-1-2-4-17(15)25(27)28/h1-8,13H,9-12H2,(H,23,26)
InChIKeyLQVSRYDSSROHQH-UHFFFAOYSA-N
XLogP4.60
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
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-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17319265
N-(3-bromo-4-morpholin-4-ylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220784
N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 3906936
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1243960
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17118246
N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43913297
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1254503
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 1244911) is N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is LQVSRYDSSROHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5/c22-16-13-14(5-6-18(16)24-9-11-29-12-10-24)23-21(26)20-8-7-19(30-20)15-3-1-2-4-17(15)25(27)28/h1-8,13H,9-12H2,(H,23,26).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 427.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1244911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).