N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide

C14H21FN2O2 — CID 106356974

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
SMILESCC(C)(C)C(CCN)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)12(6-7-16)17-13(19)10-8-9(15)4-5-11(10)18/h4-5,8,12,18H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyXCEZAZBYSZYSAK-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.02
Rot. Bonds4

About N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide

N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 106356974) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID106356974
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
SMILESCC(C)(C)C(CCN)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)12(6-7-16)17-13(19)10-8-9(15)4-5-11(10)18/h4-5,8,12,18H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyXCEZAZBYSZYSAK-UHFFFAOYSA-N
XLogP2.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea
CID 106357317
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide (CID 106356974) is N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide is CC(C)(C)C(CCN)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is XCEZAZBYSZYSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)12(6-7-16)17-13(19)10-8-9(15)4-5-11(10)18/h4-5,8,12,18H,6-7,16H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 268.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 106356974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).