N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide

C22H27ClN2O5 — CID 33309669

IUPACN-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1OCC
InChIInChI=1S/C22H27ClN2O5/c1-5-7-10-30-21-17(23)11-15(12-20(21)29-6-2)22(27)25-16-8-9-19(28-4)18(13-16)24-14(3)26/h8-9,11-13H,5-7,10H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQORRTDCRSNPUSZ-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.14
Rot. Bonds10

About N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide

N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide (PubChem CID 33309669) has the molecular formula C22H27ClN2O5 and a molecular weight of 434.92 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
PubChem CID33309669
Molecular FormulaC22H27ClN2O5
Molecular Weight434.92 g/mol
Exact Mass434.16
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1OCC
InChIInChI=1S/C22H27ClN2O5/c1-5-7-10-30-21-17(23)11-15(12-20(21)29-6-2)22(27)25-16-8-9-19(28-4)18(13-16)24-14(3)26/h8-9,11-13H,5-7,10H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQORRTDCRSNPUSZ-UHFFFAOYSA-N
XLogP5.14
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide (CID 33309669) is N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)cc1OCC.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
The InChIKey is QORRTDCRSNPUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5/c1-5-7-10-30-21-17(23)11-15(12-20(21)29-6-2)22(27)25-16-8-9-19(28-4)18(13-16)24-14(3)26/h8-9,11-13H,5-7,10H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide has a molecular weight of 434.92 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide is sourced from PubChem (CID 33309669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).