N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide

C13H11ClN2O2 — CID 6188173

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-2-7-12(18-9)13(17)16-15-8-10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyUZCXZENEKTVMBI-NVNXTCNLSA-N
MW262.70 g/mol
LogP3.01
Rot. Bonds3

About N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 6188173) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID6188173
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-2-7-12(18-9)13(17)16-15-8-10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyUZCXZENEKTVMBI-NVNXTCNLSA-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-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135706718
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137168718
N-[(E)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 21370338
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 135590172
5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 4181071

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide (CID 6188173) is N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is UZCXZENEKTVMBI-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-2-7-12(18-9)13(17)16-15-8-10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
N-[(Z)-(4-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-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 6188173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).