N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide

C12H17FN2O2 — CID 81283356

IUPACN-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)CCN)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-14)15-12(16)9-3-4-10(13)11(7-9)17-2/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyVJEPRQZMOCVYIP-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.30
Rot. Bonds5

About N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide

N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide (PubChem CID 81283356) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
PubChem CID81283356
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)CCN)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-14)15-12(16)9-3-4-10(13)11(7-9)17-2/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyVJEPRQZMOCVYIP-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide (CID 81283356) is N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC(C)CCN)ccc1F.
What is the InChIKey of N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide?
The InChIKey is VJEPRQZMOCVYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(5-6-14)15-12(16)9-3-4-10(13)11(7-9)17-2/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide?
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81283356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).