N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide

C23H24ClN3O4 — CID 89189680

IUPACN-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide
SMILESCOc1cc(CNc2ccccc2Oc2ccc(Cl)cc2N)c(NC(C)=O)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-14(28)27-19-12-23(30-3)22(29-2)10-15(19)13-26-18-6-4-5-7-21(18)31-20-9-8-16(24)11-17(20)25/h4-12,26H,13,25H2,1-3H3,(H,27,28)
InChIKeySAYJPEWVAFBQRL-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.30
Rot. Bonds8

About N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide

N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide (PubChem CID 89189680) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide
PubChem CID89189680
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC NameN-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide
SMILESCOc1cc(CNc2ccccc2Oc2ccc(Cl)cc2N)c(NC(C)=O)cc1OC
InChIInChI=1S/C23H24ClN3O4/c1-14(28)27-19-12-23(30-3)22(29-2)10-15(19)13-26-18-6-4-5-7-21(18)31-20-9-8-16(24)11-17(20)25/h4-12,26H,13,25H2,1-3H3,(H,27,28)
InChIKeySAYJPEWVAFBQRL-UHFFFAOYSA-N
XLogP5.30
TPSA94.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
CID 42613873
N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
CID 107631977
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224
2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide
CID 99987219
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-methoxyacetamide
CID 100616707
2-(5-chloro-2-methoxyphenyl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 110904694
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
2-(2-amino-4-chlorophenoxy)phenol
CID 130156009
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide?
The IUPAC name of N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide (CID 89189680) is N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide?
The canonical SMILES for N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide is COc1cc(CNc2ccccc2Oc2ccc(Cl)cc2N)c(NC(C)=O)cc1OC.
What is the InChIKey of N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide?
The InChIKey is SAYJPEWVAFBQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-14(28)27-19-12-23(30-3)22(29-2)10-15(19)13-26-18-6-4-5-7-21(18)31-20-9-8-16(24)11-17(20)25/h4-12,26H,13,25H2,1-3H3,(H,27,28).
What are the key properties of N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide?
N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide has a molecular weight of 441.92 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide is sourced from PubChem (CID 89189680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).