2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide

C23H22Cl2N2O2 — CID 126261528

IUPAC2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C23H22Cl2N2O2/c1-15-8-9-21(16(2)10-15)26-13-17-11-19(24)23(20(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-12,26H,13-14H2,1-2H3,(H,27,28)
InChIKeyHMCNAHYWUUPSGN-UHFFFAOYSA-N
MW429.35 g/mol
LogP6.24
Rot. Bonds7

About 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide

2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126261528) has the molecular formula C23H22Cl2N2O2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126261528
Molecular FormulaC23H22Cl2N2O2
Molecular Weight429.35 g/mol
Exact Mass428.11
IUPAC Name2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C23H22Cl2N2O2/c1-15-8-9-21(16(2)10-15)26-13-17-11-19(24)23(20(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-12,26H,13-14H2,1-2H3,(H,27,28)
InChIKeyHMCNAHYWUUPSGN-UHFFFAOYSA-N
XLogP6.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126274306
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126266161
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126258088
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126274994
2-[2-chloro-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539439
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126253222
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide (CID 126261528) is 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide is Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1.
What is the InChIKey of 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is HMCNAHYWUUPSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O2/c1-15-8-9-21(16(2)10-15)26-13-17-11-19(24)23(20(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-12,26H,13-14H2,1-2H3,(H,27,28).
What are the key properties of 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 429.35 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).