2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

C18H20FNO2 — CID 9048819

IUPAC2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccccc2F)C(C)C)cc1
InChIInChI=1S/C18H20FNO2/c1-12(2)17(13-8-10-14(22-3)11-9-13)20-18(21)15-6-4-5-7-16(15)19/h4-12,17H,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyWFWCNCGAAXDZAM-KRWDZBQOSA-N
MW301.36 g/mol
LogP3.96
Rot. Bonds5

About 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 9048819) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID9048819
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccccc2F)C(C)C)cc1
InChIInChI=1S/C18H20FNO2/c1-12(2)17(13-8-10-14(22-3)11-9-13)20-18(21)15-6-4-5-7-16(15)19/h4-12,17H,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyWFWCNCGAAXDZAM-KRWDZBQOSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 55395143
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
CID 9050935
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 9048819) is 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is COc1ccc([C@@H](NC(=O)c2ccccc2F)C(C)C)cc1.
What is the InChIKey of 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is WFWCNCGAAXDZAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12(2)17(13-8-10-14(22-3)11-9-13)20-18(21)15-6-4-5-7-16(15)19/h4-12,17H,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 301.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 9048819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).