2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide

C16H16FNO2 — CID 126447046

IUPAC2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
SMILESCO[C@@H](C)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C16H16FNO2/c1-10(20-2)11-4-3-5-12(8-11)13-6-7-15(17)14(9-13)16(18)19/h3-10H,1-2H3,(H2,18,19)/t10-/m0/s1
InChIKeyJZTOQEDHWRKAFQ-JTQLQIEISA-N
MW273.31 g/mol
LogP3.30
Rot. Bonds4

About 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide

2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide (PubChem CID 126447046) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
PubChem CID126447046
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
SMILESCO[C@@H](C)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C16H16FNO2/c1-10(20-2)11-4-3-5-12(8-11)13-6-7-15(17)14(9-13)16(18)19/h3-10H,1-2H3,(H2,18,19)/t10-/m0/s1
InChIKeyJZTOQEDHWRKAFQ-JTQLQIEISA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
2-chloro-5-[3-[(1S)-1-methoxyethyl]phenyl]-N-methylbenzamide
CID 95214626
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
CID 125445265
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide
CID 90731981
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
2-[2-[3-[(1S)-1-methoxyethyl]phenyl]phenyl]ethanamine
CID 95226468

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide (CID 126447046) is 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide is CO[C@@H](C)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1.
What is the InChIKey of 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide?
The InChIKey is JZTOQEDHWRKAFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10(20-2)11-4-3-5-12(8-11)13-6-7-15(17)14(9-13)16(18)19/h3-10H,1-2H3,(H2,18,19)/t10-/m0/s1.
What are the key properties of 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide?
2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide is sourced from PubChem (CID 126447046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).