N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide

C16H12ClN3O2 — CID 962789

IUPACN-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1cccn1-c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C16H12ClN3O2/c17-12-5-7-13(8-6-12)20-9-1-3-14(20)11-18-19-16(21)15-4-2-10-22-15/h1-11H,(H,19,21)
InChIKeyNERJMDZAZVDJFT-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.49
Rot. Bonds4

About N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide

N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide (PubChem CID 962789) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
PubChem CID962789
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1cccn1-c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C16H12ClN3O2/c17-12-5-7-13(8-6-12)20-9-1-3-14(20)11-18-19-16(21)15-4-2-10-22-15/h1-11H,(H,19,21)
InChIKeyNERJMDZAZVDJFT-UHFFFAOYSA-N
XLogP3.49
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 6004714
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126223643
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
4-fluoro-N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 126029104
4-fluoro-N-[(1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 3722683
4-[2-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 7317234
5,7-dibromo-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376279
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
CID 4556577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide (CID 962789) is N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide is O=C(NN=Cc1cccn1-c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is NERJMDZAZVDJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-5-7-13(8-6-12)20-9-1-3-14(20)11-18-19-16(21)15-4-2-10-22-15/h1-11H,(H,19,21).
What are the key properties of N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide?
N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 962789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).