N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide

C12H17FN2O2 — CID 55243516

IUPACN-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15(7-11(14)8-17-2)12(16)9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3
InChIKeyMAVODYSNBBEWAA-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.87
Rot. Bonds5

About N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide

N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide (PubChem CID 55243516) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
PubChem CID55243516
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15(7-11(14)8-17-2)12(16)9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3
InChIKeyMAVODYSNBBEWAA-UHFFFAOYSA-N
XLogP0.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
CID 63753834
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide (CID 55243516) is N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide is COCC(N)CN(C)C(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide?
The InChIKey is MAVODYSNBBEWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15(7-11(14)8-17-2)12(16)9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide?
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 55243516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).