N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide

C12H17FN2O2 — CID 65433400

IUPACN-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(C)CN
InChIInChI=1S/C12H17FN2O2/c1-8(6-14)7-15-12(16)11-9(13)4-3-5-10(11)17-2/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyVYIOKIMXTNLGPP-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.16
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide

N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide (PubChem CID 65433400) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
PubChem CID65433400
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(C)CN
InChIInChI=1S/C12H17FN2O2/c1-8(6-14)7-15-12(16)11-9(13)4-3-5-10(11)17-2/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyVYIOKIMXTNLGPP-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338
N-(4-amino-2-methylbutyl)-2-hydroxy-3-methoxybenzamide
CID 66090450

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide (CID 65433400) is N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is VYIOKIMXTNLGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(6-14)7-15-12(16)11-9(13)4-3-5-10(11)17-2/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65433400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).