N-(3-aminopropyl)-2-fluoro-N-propylbenzamide

C13H19FN2O — CID 43136602

IUPACN-(3-aminopropyl)-2-fluoro-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-2-9-16(10-5-8-15)13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,2,5,8-10,15H2,1H3
InChIKeyPORMNKUEYYEBDQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.03
Rot. Bonds6

About N-(3-aminopropyl)-2-fluoro-N-propylbenzamide

N-(3-aminopropyl)-2-fluoro-N-propylbenzamide (PubChem CID 43136602) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-fluoro-N-propylbenzamide
PubChem CID43136602
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(3-aminopropyl)-2-fluoro-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-2-9-16(10-5-8-15)13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,2,5,8-10,15H2,1H3
InChIKeyPORMNKUEYYEBDQ-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
CID 82324785
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
2-amino-N,N-dipropylbenzamide
CID 16769117
2-(dipropylcarbamoyl)benzeneseleninic acid
CID 101473440

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-fluoro-N-propylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-fluoro-N-propylbenzamide (CID 43136602) is N-(3-aminopropyl)-2-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-fluoro-N-propylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-fluoro-N-propylbenzamide is CCCN(CCCN)C(=O)c1ccccc1F.
What is the InChIKey of N-(3-aminopropyl)-2-fluoro-N-propylbenzamide?
The InChIKey is PORMNKUEYYEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-9-16(10-5-8-15)13(17)11-6-3-4-7-12(11)14/h3-4,6-7H,2,5,8-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-fluoro-N-propylbenzamide?
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-fluoro-N-propylbenzamide is sourced from PubChem (CID 43136602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).