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

C24H22ClN3O5 — CID 26854426

IUPACN-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide
SMILESCOc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H22ClN3O5/c1-15-7-9-16(10-8-15)23(30)27-28-24(31)18-5-3-4-6-20(18)33-14-22(29)26-19-12-11-17(25)13-21(19)32-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyDGOUVFXYSIGZHG-UHFFFAOYSA-N
MW467.91 g/mol
LogP3.75
Rot. Bonds7

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

N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide (PubChem CID 26854426) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide
PubChem CID26854426
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC NameN-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide
SMILESCOc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H22ClN3O5/c1-15-7-9-16(10-8-15)23(30)27-28-24(31)18-5-3-4-6-20(18)33-14-22(29)26-19-12-11-17(25)13-21(19)32-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyDGOUVFXYSIGZHG-UHFFFAOYSA-N
XLogP3.75
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide
CID 27681200
N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide
CID 27681196
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
3,5-dichloro-N'-(2-methoxybenzoyl)benzohydrazide
CID 17133653
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide (CID 26854426) is N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide is COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide?
The InChIKey is DGOUVFXYSIGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-15-7-9-16(10-8-15)23(30)27-28-24(31)18-5-3-4-6-20(18)33-14-22(29)26-19-12-11-17(25)13-21(19)32-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide?
N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide has a molecular weight of 467.91 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide is sourced from PubChem (CID 26854426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).