4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide

C19H21ClFNO2 — CID 68604189

IUPAC4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)NCCC(C)C)c(F)c1
InChIInChI=1S/C19H21ClFNO2/c1-12(2)8-9-22-19(23)15-6-4-13(10-17(15)21)16-11-14(20)5-7-18(16)24-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)
InChIKeyKIYKFVUSRFIZJF-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.93
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide

4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 68604189) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide
PubChem CID68604189
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)NCCC(C)C)c(F)c1
InChIInChI=1S/C19H21ClFNO2/c1-12(2)8-9-22-19(23)15-6-4-13(10-17(15)21)16-11-14(20)5-7-18(16)24-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)
InChIKeyKIYKFVUSRFIZJF-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide (CID 68604189) is 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide is COc1ccc(Cl)cc1-c1ccc(C(=O)NCCC(C)C)c(F)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide?
The InChIKey is KIYKFVUSRFIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-12(2)8-9-22-19(23)15-6-4-13(10-17(15)21)16-11-14(20)5-7-18(16)24-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide?
4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide has a molecular weight of 349.83 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-2-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 68604189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).