N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide

C18H19ClFNO3 — CID 35363899

IUPACN-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H19ClFNO3/c1-3-4-9-24-17-8-6-13(23-2)11-16(17)21-18(22)14-7-5-12(19)10-15(14)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyOBUDFRPBLNGLGB-UHFFFAOYSA-N
MW351.81 g/mol
LogP4.92
Rot. Bonds7

About N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide

N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide (PubChem CID 35363899) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
PubChem CID35363899
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H19ClFNO3/c1-3-4-9-24-17-8-6-13(23-2)11-16(17)21-18(22)14-7-5-12(19)10-15(14)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyOBUDFRPBLNGLGB-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721
N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55932340
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
2-butoxy-5-chlorobenzohydrazide
CID 54795706
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55890330
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide (CID 35363899) is N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide is CCCCOc1ccc(OC)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide?
The InChIKey is OBUDFRPBLNGLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-3-4-9-24-17-8-6-13(23-2)11-16(17)21-18(22)14-7-5-12(19)10-15(14)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide?
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide has a molecular weight of 351.81 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 35363899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).