N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide

C13H11ClN2O2 — CID 4105460

IUPACN-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(Cl)c2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-5-6-12(18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)
InChIKeyKMZFSVFQUYOCMT-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.01
Rot. Bonds3

About N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide

N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 4105460) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID4105460
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(Cl)c2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-5-6-12(18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)
InChIKeyKMZFSVFQUYOCMT-UHFFFAOYSA-N
XLogP3.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 6188173
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide (CID 4105460) is N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2)o1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is KMZFSVFQUYOCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-5-6-12(18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 4105460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).