N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide

C14H21FN2O2 — CID 63287370

IUPACN-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CCCN)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H21FN2O2/c1-11-10-12(4-5-13(11)15)14(18)17(7-3-6-16)8-9-19-2/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyPTRYCRRVWXGLKL-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.57
Rot. Bonds7

About N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide

N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide (PubChem CID 63287370) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
PubChem CID63287370
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CCCN)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H21FN2O2/c1-11-10-12(4-5-13(11)15)14(18)17(7-3-6-16)8-9-19-2/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyPTRYCRRVWXGLKL-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63287503
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide (CID 63287370) is N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide is COCCN(CCCN)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is PTRYCRRVWXGLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11-10-12(4-5-13(11)15)14(18)17(7-3-6-16)8-9-19-2/h4-5,10H,3,6-9,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 63287370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).