N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide

C25H23ClN4O5 — CID 24514086

IUPACN-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C25H23ClN4O5/c1-15(31)27-21-11-19(12-22(13-21)28-16(2)32)25(34)30-29-24(33)18-5-3-17(4-6-18)14-35-23-9-7-20(26)8-10-23/h3-13H,14H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyJYBSJLMMSARNTK-UHFFFAOYSA-N
MW494.94 g/mol
LogP3.91
Rot. Bonds7

About N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide

N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide (PubChem CID 24514086) has the molecular formula C25H23ClN4O5 and a molecular weight of 494.94 g/mol. Its IUPAC name is N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
PubChem CID24514086
Molecular FormulaC25H23ClN4O5
Molecular Weight494.94 g/mol
Exact Mass494.14
IUPAC NameN-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C25H23ClN4O5/c1-15(31)27-21-11-19(12-22(13-21)28-16(2)32)25(34)30-29-24(33)18-5-3-17(4-6-18)14-35-23-9-7-20(26)8-10-23/h3-13H,14H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyJYBSJLMMSARNTK-UHFFFAOYSA-N
XLogP3.91
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.94
LogP ≤ 53.91
H-Bond Donors ≤ 54
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'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
CID 134098728
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
4-[(4-chlorophenyl)methoxy]-N-[3-(2-hydroxyacetyl)phenyl]benzamide
CID 23354553
4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
CID 55786769
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
diethyl 2-[[2-[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinyl]methylidene]propanedioate
CID 19578779
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide (CID 24514086) is N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide?
The InChIKey is JYBSJLMMSARNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O5/c1-15(31)27-21-11-19(12-22(13-21)28-16(2)32)25(34)30-29-24(33)18-5-3-17(4-6-18)14-35-23-9-7-20(26)8-10-23/h3-13H,14H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34).
What are the key properties of N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide?
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide has a molecular weight of 494.94 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 24514086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).