N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide

C21H24ClFN2O4 — CID 55551104

IUPACN-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc1OCC
InChIInChI=1S/C21H24ClFN2O4/c1-4-6-9-29-20-16(22)10-14(11-19(20)28-5-2)21(27)25-18-12-15(24-13(3)26)7-8-17(18)23/h7-8,10-12H,4-6,9H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyZHLMHRWDJAWIQP-UHFFFAOYSA-N
MW422.88 g/mol
LogP5.27
Rot. Bonds9

About N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide

N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide (PubChem CID 55551104) has the molecular formula C21H24ClFN2O4 and a molecular weight of 422.88 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
PubChem CID55551104
Molecular FormulaC21H24ClFN2O4
Molecular Weight422.88 g/mol
Exact Mass422.14
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc1OCC
InChIInChI=1S/C21H24ClFN2O4/c1-4-6-9-29-20-16(22)10-14(11-19(20)28-5-2)21(27)25-18-12-15(24-13(3)26)7-8-17(18)23/h7-8,10-12H,4-6,9H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyZHLMHRWDJAWIQP-UHFFFAOYSA-N
XLogP5.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.88
LogP ≤ 55.27
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

4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide (CID 55551104) is N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide is CCCCOc1c(Cl)cc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc1OCC.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
The InChIKey is ZHLMHRWDJAWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O4/c1-4-6-9-29-20-16(22)10-14(11-19(20)28-5-2)21(27)25-18-12-15(24-13(3)26)7-8-17(18)23/h7-8,10-12H,4-6,9H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide?
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide has a molecular weight of 422.88 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide is sourced from PubChem (CID 55551104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).