N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide

C13H19FN2O2 — CID 55173242

IUPACN-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCN)C(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-18-10-9-16(8-4-7-15)13(17)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeySRZPMIIQSUQQMJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.26
Rot. Bonds7

About N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide

N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 55173242) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID55173242
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCN)C(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-18-10-9-16(8-4-7-15)13(17)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeySRZPMIIQSUQQMJ-UHFFFAOYSA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-2,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 63287508
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide
CID 63287507
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide (CID 55173242) is N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CCCN)C(=O)c1ccccc1F.
What is the InChIKey of N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is SRZPMIIQSUQQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-10-9-16(8-4-7-15)13(17)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide?
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 254.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 55173242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).