2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

C23H21ClN2O3 — CID 126214472

IUPAC2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-16-4-3-5-20(12-16)26-23(27)15-29-22-11-6-18(24)13-17(22)14-25-19-7-9-21(28-2)10-8-19/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyBOJAGVXINNTKCD-AFUMVMLFSA-N
MW408.89 g/mol
LogP5.43
Rot. Bonds7

About 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126214472) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126214472
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-16-4-3-5-20(12-16)26-23(27)15-29-22-11-6-18(24)13-17(22)14-25-19-7-9-21(28-2)10-8-19/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyBOJAGVXINNTKCD-AFUMVMLFSA-N
XLogP5.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222975
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126259967
dimethyl 2-[[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylidene]propanedioate
CID 126056010
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126218997
2-[2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220488
2-[4-chloro-2-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126232497
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126331011
N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3999806
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126329764
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126214472) is 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is BOJAGVXINNTKCD-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16-4-3-5-20(12-16)26-23(27)15-29-22-11-6-18(24)13-17(22)14-25-19-7-9-21(28-2)10-8-19/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+.
What are the key properties of 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126214472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).