N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide

C23H23ClN2O4 — CID 18289314

IUPACN-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
SMILESCOc1ccc(Oc2cc(NC(C)C(=O)Nc3ccccc3Cl)ccc2OC)cc1
InChIInChI=1S/C23H23ClN2O4/c1-15(23(27)26-20-7-5-4-6-19(20)24)25-16-8-13-21(29-3)22(14-16)30-18-11-9-17(28-2)10-12-18/h4-15,25H,1-3H3,(H,26,27)
InChIKeyMGYKJRRUQIDOFZ-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.59
Rot. Bonds8

About N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide

N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide (PubChem CID 18289314) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
PubChem CID18289314
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC NameN-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
SMILESCOc1ccc(Oc2cc(NC(C)C(=O)Nc3ccccc3Cl)ccc2OC)cc1
InChIInChI=1S/C23H23ClN2O4/c1-15(23(27)26-20-7-5-4-6-19(20)24)25-16-8-13-21(29-3)22(14-16)30-18-11-9-17(28-2)10-12-18/h4-15,25H,1-3H3,(H,26,27)
InChIKeyMGYKJRRUQIDOFZ-UHFFFAOYSA-N
XLogP5.59
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 47005825
N-(2-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 51245585
N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18268062
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799840
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799845
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide (CID 18289314) is N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide is COc1ccc(Oc2cc(NC(C)C(=O)Nc3ccccc3Cl)ccc2OC)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
The InChIKey is MGYKJRRUQIDOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-15(23(27)26-20-7-5-4-6-19(20)24)25-16-8-13-21(29-3)22(14-16)30-18-11-9-17(28-2)10-12-18/h4-15,25H,1-3H3,(H,26,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide?
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide has a molecular weight of 426.90 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide is sourced from PubChem (CID 18289314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).