4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide

C11H14FNO3 — CID 81284566

IUPAC4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](C)CO)ccc1F
InChIInChI=1S/C11H14FNO3/c1-7(6-14)13-11(15)8-3-4-9(12)10(5-8)16-2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyLNXRAIMJUQMNRV-SSDOTTSWSA-N
MW227.23 g/mol
LogP0.94
Rot. Bonds4

About 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide (PubChem CID 81284566) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
PubChem CID81284566
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](C)CO)ccc1F
InChIInChI=1S/C11H14FNO3/c1-7(6-14)13-11(15)8-3-4-9(12)10(5-8)16-2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyLNXRAIMJUQMNRV-SSDOTTSWSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide (CID 81284566) is 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide is COc1cc(C(=O)N[C@H](C)CO)ccc1F.
What is the InChIKey of 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide?
The InChIKey is LNXRAIMJUQMNRV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7(6-14)13-11(15)8-3-4-9(12)10(5-8)16-2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide?
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide has a molecular weight of 227.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 81284566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).