2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide

C23H20ClN3O5 — CID 55343241

IUPAC2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H20ClN3O5/c1-31-20-4-2-3-18(13-20)25-21(28)14-32-19-11-7-16(8-12-19)23(30)27-26-22(29)15-5-9-17(24)10-6-15/h2-13H,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyZCDJXIRJUJJTNS-UHFFFAOYSA-N
MW453.88 g/mol
LogP3.44
Rot. Bonds7

About 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide

2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 55343241) has the molecular formula C23H20ClN3O5 and a molecular weight of 453.88 g/mol. Its IUPAC name is 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
PubChem CID55343241
Molecular FormulaC23H20ClN3O5
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC Name2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H20ClN3O5/c1-31-20-4-2-3-18(13-20)25-21(28)14-32-19-11-7-16(8-12-19)23(30)27-26-22(29)15-5-9-17(24)10-6-15/h2-13H,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyZCDJXIRJUJJTNS-UHFFFAOYSA-N
XLogP3.44
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 53.44
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-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319130
2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 26872673
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539004
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide (CID 55343241) is 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZCDJXIRJUJJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5/c1-31-20-4-2-3-18(13-20)25-21(28)14-32-19-11-7-16(8-12-19)23(30)27-26-22(29)15-5-9-17(24)10-6-15/h2-13H,14H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 453.88 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 55343241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).