N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide

C12H9Cl2N3O2 — CID 11483373

IUPACN-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H9Cl2N3O2/c13-6-1-2-8(14)7(5-6)9-3-4-10(19-9)11(18)17-12(15)16/h1-5H,(H4,15,16,17,18)
InChIKeyVLCZVCQMCJGEDW-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.67
Rot. Bonds2

About N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide

N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 11483373) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID11483373
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC NameN-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C12H9Cl2N3O2/c13-6-1-2-8(14)7(5-6)9-3-4-10(19-9)11(18)17-12(15)16/h1-5H,(H4,15,16,17,18)
InChIKeyVLCZVCQMCJGEDW-UHFFFAOYSA-N
XLogP2.67
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-5-(2,5-difluorophenyl)furan-2-carboxamide
CID 11737171
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
N-(diaminomethylidene)-5-phenylfuran-2-carboxamide
CID 11470226
N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 25103423
(3R)-3-amino-3-[5-(2,5-dichlorophenyl)furan-2-yl]propanamide
CID 124514749
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 8547148
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanethione
CID 786411
N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5153944
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 11483373) is N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide is NC(N)=NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is VLCZVCQMCJGEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-6-1-2-8(14)7(5-6)9-3-4-10(19-9)11(18)17-12(15)16/h1-5H,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 11483373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).