N-(2-aminopentyl)-3-fluoro-4-methylbenzamide

C13H19FN2O — CID 115737742

IUPACN-(2-aminopentyl)-3-fluoro-4-methylbenzamide
SMILESCCCC(N)CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-4-11(15)8-16-13(17)10-6-5-9(2)12(14)7-10/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyQQSOIMGHFIACBB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.99
Rot. Bonds5

About N-(2-aminopentyl)-3-fluoro-4-methylbenzamide

N-(2-aminopentyl)-3-fluoro-4-methylbenzamide (PubChem CID 115737742) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-aminopentyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-3-fluoro-4-methylbenzamide
PubChem CID115737742
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(2-aminopentyl)-3-fluoro-4-methylbenzamide
SMILESCCCC(N)CNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-4-11(15)8-16-13(17)10-6-5-9(2)12(14)7-10/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyQQSOIMGHFIACBB-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
N-(2-aminopentyl)-2,4-difluorobenzamide
CID 115737778
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-aminopentyl)-3-fluoro-4-methylbenzamide (CID 115737742) is N-(2-aminopentyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-aminopentyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-aminopentyl)-3-fluoro-4-methylbenzamide is CCCC(N)CNC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of N-(2-aminopentyl)-3-fluoro-4-methylbenzamide?
The InChIKey is QQSOIMGHFIACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-4-11(15)8-16-13(17)10-6-5-9(2)12(14)7-10/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminopentyl)-3-fluoro-4-methylbenzamide?
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 115737742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).