N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide

C12H17FN2O2 — CID 102885366

IUPACN-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(C)N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(14)7-15(2)12(16)10-5-4-9(17-3)6-11(10)13/h4-6,8H,7,14H2,1-3H3
InChIKeyVZVJDNGCZPEZFE-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.25
Rot. Bonds4

About N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide

N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 102885366) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
PubChem CID102885366
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(C)N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(14)7-15(2)12(16)10-5-4-9(17-3)6-11(10)13/h4-6,8H,7,14H2,1-3H3
InChIKeyVZVJDNGCZPEZFE-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113218973
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide (CID 102885366) is N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(C)N)c(F)c1.
What is the InChIKey of N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is VZVJDNGCZPEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(14)7-15(2)12(16)10-5-4-9(17-3)6-11(10)13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide?
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 102885366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).