N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide

C21H17Cl3N2O2 — CID 42613873

IUPACN-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1CNc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl3N2O2/c1-13(27)26-18-8-6-15(22)10-14(18)12-25-19-4-2-3-5-21(19)28-20-9-7-16(23)11-17(20)24/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyJCACQGRTWKZZMJ-UHFFFAOYSA-N
MW435.74 g/mol
LogP7.01
Rot. Bonds6

About N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide

N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide (PubChem CID 42613873) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
PubChem CID42613873
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC NameN-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1CNc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl3N2O2/c1-13(27)26-18-8-6-15(22)10-14(18)12-25-19-4-2-3-5-21(19)28-20-9-7-16(23)11-17(20)24/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyJCACQGRTWKZZMJ-UHFFFAOYSA-N
XLogP7.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(2-amino-4-chlorophenoxy)anilino]methyl]-4,5-dimethoxyphenyl]acetamide
CID 89189680
N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
CID 107631977
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224
N-[2-[(4-chloro-2-fluoroanilino)methyl]phenyl]acetamide
CID 66387469
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
N-[2-[(2,4,5-trichloroanilino)methyl]phenyl]acetamide
CID 66387225
4-[2-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
CID 2732170
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29291752
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide (CID 42613873) is N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1CNc1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide?
The InChIKey is JCACQGRTWKZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c1-13(27)26-18-8-6-15(22)10-14(18)12-25-19-4-2-3-5-21(19)28-20-9-7-16(23)11-17(20)24/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide?
N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide has a molecular weight of 435.74 g/mol, XLogP of 7.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide is sourced from PubChem (CID 42613873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).