N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide

C15H23FN2O2 — CID 106357024

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)12(8-9-17)18-14(19)13-10(16)6-5-7-11(13)20-4/h5-7,12H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyWVALGRLOBNXVIV-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.33
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide (PubChem CID 106357024) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
PubChem CID106357024
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)12(8-9-17)18-14(19)13-10(16)6-5-7-11(13)20-4/h5-7,12H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyWVALGRLOBNXVIV-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
CID 77069364
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide (CID 106357024) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide?
The InChIKey is WVALGRLOBNXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,3)12(8-9-17)18-14(19)13-10(16)6-5-7-11(13)20-4/h5-7,12H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide has a molecular weight of 282.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 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)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 106357024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).