5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide

C21H25ClN2O4 — CID 108540833

IUPAC5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCCCc1ccc(OCC(=O)NCCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C21H25ClN2O4/c1-3-4-15-5-8-17(9-6-15)28-14-20(25)23-11-12-24-21(26)18-13-16(22)7-10-19(18)27-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJHPGERMZXLECQV-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.23
Rot. Bonds10

About 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide

5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108540833) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID108540833
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCCCc1ccc(OCC(=O)NCCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C21H25ClN2O4/c1-3-4-15-5-8-17(9-6-15)28-14-20(25)23-11-12-24-21(26)18-13-16(22)7-10-19(18)27-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJHPGERMZXLECQV-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108540827
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
CID 154145410
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
2-(2-acetyl-4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7167777
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539217
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide (CID 108540833) is 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide is CCCc1ccc(OCC(=O)NCCNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is JHPGERMZXLECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-3-4-15-5-8-17(9-6-15)28-14-20(25)23-11-12-24-21(26)18-13-16(22)7-10-19(18)27-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 404.89 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108540833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).