N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide

C12H11ClN4O2 — CID 10356225

IUPACN-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
SMILESN/C(=N\NC(=O)c1ccco1)c1cc(Cl)ccc1N
InChIInChI=1S/C12H11ClN4O2/c13-7-3-4-9(14)8(6-7)11(15)16-17-12(18)10-2-1-5-19-10/h1-6H,14H2,(H2,15,16)(H,17,18)
InChIKeyLGVDLSXCMUTMHD-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.57
Rot. Bonds3

About N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide

N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide (PubChem CID 10356225) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
PubChem CID10356225
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
SMILESN/C(=N\NC(=O)c1ccco1)c1cc(Cl)ccc1N
InChIInChI=1S/C12H11ClN4O2/c13-7-3-4-9(14)8(6-7)11(15)16-17-12(18)10-2-1-5-19-10/h1-6H,14H2,(H2,15,16)(H,17,18)
InChIKeyLGVDLSXCMUTMHD-UHFFFAOYSA-N
XLogP1.57
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
CID 136915218
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119
4-chloro-2-(furan-2-carboximidoyl)aniline
CID 18944469
N-[(E)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]furan-2-carboxamide
CID 5412328
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
CID 170856265
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide (CID 10356225) is N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide is N/C(=N\NC(=O)c1ccco1)c1cc(Cl)ccc1N.
What is the InChIKey of N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide?
The InChIKey is LGVDLSXCMUTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-7-3-4-9(14)8(6-7)11(15)16-17-12(18)10-2-1-5-19-10/h1-6H,14H2,(H2,15,16)(H,17,18).
What are the key properties of N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide?
N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 10356225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).