4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide

C14H14ClN3O2 — CID 169368032

IUPAC4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide
SMILESN/C(CCl)=N/c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H14ClN3O2/c15-8-13(16)18-11-5-3-10(4-6-11)14(19)17-9-12-2-1-7-20-12/h1-7H,8-9H2,(H2,16,18)(H,17,19)
InChIKeyYNGCISKBCRMGSQ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.44
Rot. Bonds5

About 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide

4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 169368032) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID169368032
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide
SMILESN/C(CCl)=N/c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H14ClN3O2/c15-8-13(16)18-11-5-3-10(4-6-11)14(19)17-9-12-2-1-7-20-12/h1-7H,8-9H2,(H2,16,18)(H,17,19)
InChIKeyYNGCISKBCRMGSQ-UHFFFAOYSA-N
XLogP2.44
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
[4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid;molecular hydrogen
CID 159533329
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
2-chloro-N'-[4-(furan-2-ylmethoxy)phenyl]ethanimidamide
CID 169368088
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide (CID 169368032) is 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide is N/C(CCl)=N/c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is YNGCISKBCRMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-8-13(16)18-11-5-3-10(4-6-11)14(19)17-9-12-2-1-7-20-12/h1-7H,8-9H2,(H2,16,18)(H,17,19).
What are the key properties of 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide?
4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 169368032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).