N-(diaminomethylidene)-5-phenylfuran-2-carboxamide

C12H11N3O2 — CID 11470226

IUPACN-(diaminomethylidene)-5-phenylfuran-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c13-12(14)15-11(16)10-7-6-9(17-10)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15,16)
InChIKeySYROHGCLRGCTIR-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.36
Rot. Bonds2

About N-(diaminomethylidene)-5-phenylfuran-2-carboxamide

N-(diaminomethylidene)-5-phenylfuran-2-carboxamide (PubChem CID 11470226) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-phenylfuran-2-carboxamide
PubChem CID11470226
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(diaminomethylidene)-5-phenylfuran-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c13-12(14)15-11(16)10-7-6-9(17-10)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15,16)
InChIKeySYROHGCLRGCTIR-UHFFFAOYSA-N
XLogP1.36
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.36
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

1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide
CID 11312289
N-(diaminomethylidene)-5-(2,5-difluorophenyl)furan-2-carboxamide
CID 11737171
2-iodo-1-(5-phenylfuran-2-yl)ethanone
CID 89379473
5-phenylfuran-2-carboximidamide;hydrochloride
CID 24838257
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-(3-nitrosophenyl)furan-2-carboxylic acid
CID 144711483
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-phenylfuran-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-phenylfuran-2-carboxamide (CID 11470226) is N-(diaminomethylidene)-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-phenylfuran-2-carboxamide is NC(N)=NC(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(diaminomethylidene)-5-phenylfuran-2-carboxamide?
The InChIKey is SYROHGCLRGCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12(14)15-11(16)10-7-6-9(17-10)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15,16).
What are the key properties of N-(diaminomethylidene)-5-phenylfuran-2-carboxamide?
N-(diaminomethylidene)-5-phenylfuran-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 11470226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).