2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide

C18H19ClFNO2 — CID 113090462

IUPAC2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-18(2,12-7-9-13(23-3)10-8-12)11-21-17(22)16-14(19)5-4-6-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyTZOORAIAVMDPRF-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.20
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide

2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 113090462) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID113090462
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-18(2,12-7-9-13(23-3)10-8-12)11-21-17(22)16-14(19)5-4-6-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyTZOORAIAVMDPRF-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
CID 39952297
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 113090462) is 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide is COc1ccc(C(C)(C)CNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is TZOORAIAVMDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-18(2,12-7-9-13(23-3)10-8-12)11-21-17(22)16-14(19)5-4-6-15(16)20/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 335.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 113090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).