5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide

C15H13ClFNO2 — CID 61073474

IUPAC5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H13ClFNO2/c1-9-7-11(4-6-14(9)20-2)18-15(19)12-8-10(16)3-5-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyHOTDMZJSPVJDBC-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.05
Rot. Bonds3

About 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide

5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide (PubChem CID 61073474) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
PubChem CID61073474
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H13ClFNO2/c1-9-7-11(4-6-14(9)20-2)18-15(19)12-8-10(16)3-5-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyHOTDMZJSPVJDBC-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide (CID 61073474) is 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide is COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1C.
What is the InChIKey of 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide?
The InChIKey is HOTDMZJSPVJDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-7-11(4-6-14(9)20-2)18-15(19)12-8-10(16)3-5-13(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide?
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide has a molecular weight of 293.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide is sourced from PubChem (CID 61073474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).