N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide

C19H18N4O2 — CID 110917647

IUPACN-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-19(23-15-5-2-1-3-6-15)21-13-14-8-10-16(11-9-14)22-18(24)17-7-4-12-25-17/h1-12H,13H2,(H,22,24)(H3,20,21,23)
InChIKeyFFLSIDTYLXNOJM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.46
Rot. Bonds5

About N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 110917647) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID110917647
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-19(23-15-5-2-1-3-6-15)21-13-14-8-10-16(11-9-14)22-18(24)17-7-4-12-25-17/h1-12H,13H2,(H,22,24)(H3,20,21,23)
InChIKeyFFLSIDTYLXNOJM-UHFFFAOYSA-N
XLogP3.46
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111046763
2-benzyl-1-phenylguanidine
CID 12910062
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 111040414
N-[4-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040354
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046750
N-[4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040394
N-[4-[[(E)-N'-nitrocarbamimidoyl]amino]phenyl]furan-2-carboxamide
CID 135504273
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide (CID 110917647) is N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide is N/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1.
What is the InChIKey of N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FFLSIDTYLXNOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19(23-15-5-2-1-3-6-15)21-13-14-8-10-16(11-9-14)22-18(24)17-7-4-12-25-17/h1-12H,13H2,(H,22,24)(H3,20,21,23).
What are the key properties of N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 110917647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).