N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide

C12H17FN2O3 — CID 114150752

IUPACN-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCOCC(CCN)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O3/c1-18-7-9(4-5-14)15-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyHIPZPJFELYEBGT-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.62
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide

N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 114150752) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID114150752
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCOCC(CCN)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O3/c1-18-7-9(4-5-14)15-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyHIPZPJFELYEBGT-UHFFFAOYSA-N
XLogP0.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide (CID 114150752) is N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide is COCC(CCN)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is HIPZPJFELYEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-18-7-9(4-5-14)15-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 256.28 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 114150752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).