N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide

C13H18F2N2O — CID 43136548

IUPACN-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-2-7-17(8-3-6-16)13(18)10-4-5-11(14)12(15)9-10/h4-5,9H,2-3,6-8,16H2,1H3
InChIKeyOLGWRSVROQZMHM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.17
Rot. Bonds6

About N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide

N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide (PubChem CID 43136548) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
PubChem CID43136548
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-2-7-17(8-3-6-16)13(18)10-4-5-11(14)12(15)9-10/h4-5,9H,2-3,6-8,16H2,1H3
InChIKeyOLGWRSVROQZMHM-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
N-(2-bromoethyl)-4-fluoro-3-methyl-N-propylbenzamide
CID 80660124

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide?
The IUPAC name of N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide (CID 43136548) is N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide is CCCN(CCCN)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide?
The InChIKey is OLGWRSVROQZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-7-17(8-3-6-16)13(18)10-4-5-11(14)12(15)9-10/h4-5,9H,2-3,6-8,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide?
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide is sourced from PubChem (CID 43136548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).