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

C24H23ClN2O2 — CID 126222975

IUPAC2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H23ClN2O2/c1-16-5-4-6-22(11-16)27-24(28)15-29-23-10-8-20(25)13-19(23)14-26-21-9-7-17(2)18(3)12-21/h4-14H,15H2,1-3H3,(H,27,28)/b26-14+
InChIKeyOJSRMTALPRVLKU-VULFUBBASA-N
MW406.91 g/mol
LogP6.03
Rot. Bonds6

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

2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126222975) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126222975
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H23ClN2O2/c1-16-5-4-6-22(11-16)27-24(28)15-29-23-10-8-20(25)13-19(23)14-26-21-9-7-17(2)18(3)12-21/h4-14H,15H2,1-3H3,(H,27,28)/b26-14+
InChIKeyOJSRMTALPRVLKU-VULFUBBASA-N
XLogP6.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126214472
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-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222360
dimethyl 2-[[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylidene]propanedioate
CID 126056010
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126259967
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126329764
N-[(E)-[5-chloro-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126261404
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126331011
2-[4-chloro-2-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126232497

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126222975) is 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is OJSRMTALPRVLKU-VULFUBBASA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-16-5-4-6-22(11-16)27-24(28)15-29-23-10-8-20(25)13-19(23)14-26-21-9-7-17(2)18(3)12-21/h4-14H,15H2,1-3H3,(H,27,28)/b26-14+.
What are the key properties of 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126222975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).