N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide

C13H19FN2O — CID 28767293

IUPACN-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(2)13(17)16(8-4-7-15)12-6-3-5-11(14)9-12/h3,5-6,9-10H,4,7-8,15H2,1-2H3
InChIKeyWHKJKVKXIWWCMO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.16
Rot. Bonds5

About N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide

N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide (PubChem CID 28767293) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
PubChem CID28767293
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-10(2)13(17)16(8-4-7-15)12-6-3-5-11(14)9-12/h3,5-6,9-10H,4,7-8,15H2,1-2H3
InChIKeyWHKJKVKXIWWCMO-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 43136163
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
CID 43319058
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide (CID 28767293) is N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide is CC(C)C(=O)N(CCCN)c1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide?
The InChIKey is WHKJKVKXIWWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(2)13(17)16(8-4-7-15)12-6-3-5-11(14)9-12/h3,5-6,9-10H,4,7-8,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide?
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 28767293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).