N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide

C19H15ClN2O2 — CID 6872153

IUPACN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H15ClN2O2/c1-13-2-4-15(5-3-13)19(23)22-21-12-17-10-11-18(24-17)14-6-8-16(20)9-7-14/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyHMAPMIREVPFVGY-CIAFOILYSA-N
MW338.79 g/mol
LogP4.67
Rot. Bonds4

About N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide

N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide (PubChem CID 6872153) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
PubChem CID6872153
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H15ClN2O2/c1-13-2-4-15(5-3-13)19(23)22-21-12-17-10-11-18(24-17)14-6-8-16(20)9-7-14/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyHMAPMIREVPFVGY-CIAFOILYSA-N
XLogP4.67
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.67
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'}

Analyze N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
4-chloro-3-[5-[[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 996559
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 6891757
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
4-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4244827
propan-2-yl 3-[5-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126181380

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide (CID 6872153) is N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide?
The InChIKey is HMAPMIREVPFVGY-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-2-4-15(5-3-13)19(23)22-21-12-17-10-11-18(24-17)14-6-8-16(20)9-7-14/h2-12H,1H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide?
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide has a molecular weight of 338.79 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 6872153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).