2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide

C22H20Cl2N2O3 — CID 126257251

IUPAC2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H20Cl2N2O3/c1-28-20-12-15(13-25-17-9-7-16(23)8-10-17)11-19(24)22(20)29-14-21(27)26-18-5-3-2-4-6-18/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyODVLILYJMVCJPF-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.63
Rot. Bonds8

About 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide

2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide (PubChem CID 126257251) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
PubChem CID126257251
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H20Cl2N2O3/c1-28-20-12-15(13-25-17-9-7-16(23)8-10-17)11-19(24)22(20)29-14-21(27)26-18-5-3-2-4-6-18/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyODVLILYJMVCJPF-UHFFFAOYSA-N
XLogP5.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-6-methoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]-N-phenylacetamide
CID 2217368
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126258088
2-[2-chloro-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539439
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126183393
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
2-[2-chloro-6-methoxy-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539442
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide (CID 126257251) is 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide is COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is ODVLILYJMVCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-28-20-12-15(13-25-17-9-7-16(23)8-10-17)11-19(24)22(20)29-14-21(27)26-18-5-3-2-4-6-18/h2-12,25H,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 431.32 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 126257251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).