N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide

C25H24ClN3O6 — CID 27681196

IUPACN-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)cc2OC)cc1
InChIInChI=1S/C25H24ClN3O6/c1-33-18-10-7-16(8-11-18)13-23(30)28-29-25(32)19-5-3-4-6-21(19)35-15-24(31)27-20-12-9-17(26)14-22(20)34-2/h3-12,14H,13,15H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyJSYHOJJBHHQEJA-UHFFFAOYSA-N
MW497.94 g/mol
LogP3.38
Rot. Bonds9

About N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide

N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide (PubChem CID 27681196) has the molecular formula C25H24ClN3O6 and a molecular weight of 497.94 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide
PubChem CID27681196
Molecular FormulaC25H24ClN3O6
Molecular Weight497.94 g/mol
Exact Mass497.14
IUPAC NameN-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)cc2OC)cc1
InChIInChI=1S/C25H24ClN3O6/c1-33-18-10-7-16(8-11-18)13-23(30)28-29-25(32)19-5-3-4-6-21(19)35-15-24(31)27-20-12-9-17(26)14-22(20)34-2/h3-12,14H,13,15H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyJSYHOJJBHHQEJA-UHFFFAOYSA-N
XLogP3.38
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 26854426
N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide
CID 27681200
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
2-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 17122844
2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4936798
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4942269
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 17260595
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide (CID 27681196) is N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide is COc1ccc(CC(=O)NNC(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide?
The InChIKey is JSYHOJJBHHQEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O6/c1-33-18-10-7-16(8-11-18)13-23(30)28-29-25(32)19-5-3-4-6-21(19)35-15-24(31)27-20-12-9-17(26)14-22(20)34-2/h3-12,14H,13,15H2,1-2H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide?
N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide has a molecular weight of 497.94 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide is sourced from PubChem (CID 27681196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).