2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide

C15H16ClN3O2 — CID 91991158

IUPAC2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
SMILESCN(C)c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)15-8-7-13(21-15)10-17-18-14(20)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyKKNPNMRNRSUDJI-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide

2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide (PubChem CID 91991158) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
PubChem CID91991158
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
SMILESCN(C)c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClN3O2/c1-19(2)15-8-7-13(21-15)10-17-18-14(20)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyKKNPNMRNRSUDJI-UHFFFAOYSA-N
XLogP2.69
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 6069375
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371267
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 126008441
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
CID 131854027
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
2-(4-chlorophenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136789448
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide (CID 91991158) is 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide is CN(C)c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The InChIKey is KKNPNMRNRSUDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(2)15-8-7-13(21-15)10-17-18-14(20)9-11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide has a molecular weight of 305.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 91991158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).