N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide

C17H19FN2O — CID 28766949

IUPACN-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CCCN)C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O/c1-13-5-2-8-16(11-13)20(10-4-9-19)17(21)14-6-3-7-15(18)12-14/h2-3,5-8,11-12H,4,9-10,19H2,1H3
InChIKeyVGXXQGFCSQPUHW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.13
Rot. Bonds5

About N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide

N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 28766949) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
PubChem CID28766949
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(CCCN)C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O/c1-13-5-2-8-16(11-13)20(10-4-9-19)17(21)14-6-3-7-15(18)12-14/h2-3,5-8,11-12H,4,9-10,19H2,1H3
InChIKeyVGXXQGFCSQPUHW-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
CID 104637909
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(2-aminoethyl)-3-fluoro-N-(4-fluorophenyl)benzamide
CID 28769279
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 43136163
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
3-(3-fluoro-N-(3-fluorobenzoyl)anilino)propanoic acid
CID 82321619

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide (CID 28766949) is N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide is Cc1cccc(N(CCCN)C(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is VGXXQGFCSQPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13-5-2-8-16(11-13)20(10-4-9-19)17(21)14-6-3-7-15(18)12-14/h2-3,5-8,11-12H,4,9-10,19H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide?
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 28766949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).