methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate

C13H11ClN2O3 — CID 740775

IUPACmethyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H11ClN2O3/c1-18-13(17)16-15-8-9-6-7-12(19-9)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,16,17)
InChIKeyIANOXCIMAHTJJQ-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.29
Rot. Bonds3

About methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate

methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate (PubChem CID 740775) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
PubChem CID740775
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H11ClN2O3/c1-18-13(17)16-15-8-9-6-7-12(19-9)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,16,17)
InChIKeyIANOXCIMAHTJJQ-UHFFFAOYSA-N
XLogP3.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 1104273
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6863548
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1101255
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate?
The IUPAC name of methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate (CID 740775) is methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate is COC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate?
The InChIKey is IANOXCIMAHTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-13(17)16-15-8-9-6-7-12(19-9)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,16,17).
What are the key properties of methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate?
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate has a molecular weight of 278.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate is sourced from PubChem (CID 740775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).