N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide

C23H19ClN4O3 — CID 126226008

IUPACN-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C23H19ClN4O3/c1-14-10-18(15(2)28(14)27-22(29)16-6-4-3-5-7-16)13-25-26-23(30)21-12-17-11-19(24)8-9-20(17)31-21/h3-13H,1-2H3,(H,26,30)(H,27,29)/b25-13-
InChIKeyVFNPHDBALDLZGO-MXAYSNPKSA-N
MW434.88 g/mol
LogP4.65
Rot. Bonds5

About N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide

N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 126226008) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
PubChem CID126226008
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC NameN-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C23H19ClN4O3/c1-14-10-18(15(2)28(14)27-22(29)16-6-4-3-5-7-16)13-25-26-23(30)21-12-17-11-19(24)8-9-20(17)31-21/h3-13H,1-2H3,(H,26,30)(H,27,29)/b25-13-
InChIKeyVFNPHDBALDLZGO-MXAYSNPKSA-N
XLogP4.65
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126025334
N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-7-methoxy-5-nitro-1-benzofuran-2-carboxamide
CID 126206335
N-[(E)-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126192943
ethyl 2-[3-[(E)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carboxylate
CID 126029876
5-chloro-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137047420
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027402
5-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126028187
5-chloro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126028421
5-bromo-N-[(E)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126226699
5-chloro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864660
N-[3-[(4-bromo-3-chlorophenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 126216983
5-chloro-N-[(E)-(5-iodo-2,3-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126028731

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide (CID 126226008) is N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide is Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is VFNPHDBALDLZGO-MXAYSNPKSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-14-10-18(15(2)28(14)27-22(29)16-6-4-3-5-7-16)13-25-26-23(30)21-12-17-11-19(24)8-9-20(17)31-21/h3-13H,1-2H3,(H,26,30)(H,27,29)/b25-13-.
What are the key properties of N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide?
N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzamido-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126226008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).