N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C17H13ClN2O5 — CID 51065498

IUPACN-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C17H13ClN2O5/c1-9-16(12-8-11(24-2)4-6-15(12)25-9)17(21)19-10-3-5-13(18)14(7-10)20(22)23/h3-8H,1-2H3,(H,19,21)
InChIKeyZWUYFJDSSNXQNT-UHFFFAOYSA-N
MW360.75 g/mol
LogP4.56
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 51065498) has the molecular formula C17H13ClN2O5 and a molecular weight of 360.75 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID51065498
Molecular FormulaC17H13ClN2O5
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C17H13ClN2O5/c1-9-16(12-8-11(24-2)4-6-15(12)25-9)17(21)19-10-3-5-13(18)14(7-10)20(22)23/h3-8H,1-2H3,(H,19,21)
InChIKeyZWUYFJDSSNXQNT-UHFFFAOYSA-N
XLogP4.56
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 54.56
H-Bond Donors ≤ 51
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

5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
CID 51065492
4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3970045
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
4-chloro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-nitrobenzamide
CID 108730775
ethyl 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2867458
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 51065498) is N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ZWUYFJDSSNXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5/c1-9-16(12-8-11(24-2)4-6-15(12)25-9)17(21)19-10-3-5-13(18)14(7-10)20(22)23/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 360.75 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 51065498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).