5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide

C20H21ClN2O3 — CID 7832298

IUPAC5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
SMILESCC1=CC[C@H](/C=N\NC(=O)c2ccc(COc3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H21ClN2O3/c1-14-6-8-15(9-7-14)12-22-23-20(24)19-11-10-16(26-19)13-25-18-5-3-2-4-17(18)21/h2-6,10-12,15H,7-9,13H2,1H3,(H,23,24)/b22-12-/t15-/m0/s1
InChIKeyYHPKTSSBXSOZEF-QZDMBBGESA-N
MW372.85 g/mol
LogP4.97
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide (PubChem CID 7832298) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
PubChem CID7832298
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
SMILESCC1=CC[C@H](/C=N\NC(=O)c2ccc(COc3ccccc3Cl)o2)CC1
InChIInChI=1S/C20H21ClN2O3/c1-14-6-8-15(9-7-14)12-22-23-20(24)19-11-10-16(26-19)13-25-18-5-3-2-4-17(18)21/h2-6,10-12,15H,7-9,13H2,1H3,(H,23,24)/b22-12-/t15-/m0/s1
InChIKeyYHPKTSSBXSOZEF-QZDMBBGESA-N
XLogP4.97
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 6874399
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide
CID 35535968
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198
methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748747
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19578393

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide (CID 7832298) is 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide is CC1=CC[C@H](/C=N\NC(=O)c2ccc(COc3ccccc3Cl)o2)CC1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is YHPKTSSBXSOZEF-QZDMBBGESA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14-6-8-15(9-7-14)12-22-23-20(24)19-11-10-16(26-19)13-25-18-5-3-2-4-17(18)21/h2-6,10-12,15H,7-9,13H2,1H3,(H,23,24)/b22-12-/t15-/m0/s1.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 7832298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).