N-(2-amino-4-methylpentyl)-2-fluorobenzamide

C13H19FN2O — CID 107158830

IUPACN-(2-amino-4-methylpentyl)-2-fluorobenzamide
SMILESCC(C)CC(N)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-9(2)7-10(15)8-16-13(17)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyIFVFJRYJWODUHM-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.93
Rot. Bonds5

About N-(2-amino-4-methylpentyl)-2-fluorobenzamide

N-(2-amino-4-methylpentyl)-2-fluorobenzamide (PubChem CID 107158830) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2-fluorobenzamide
PubChem CID107158830
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(2-amino-4-methylpentyl)-2-fluorobenzamide
SMILESCC(C)CC(N)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-9(2)7-10(15)8-16-13(17)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyIFVFJRYJWODUHM-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
CID 62882788
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2-fluorobenzamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2-fluorobenzamide (CID 107158830) is N-(2-amino-4-methylpentyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2-fluorobenzamide is CC(C)CC(N)CNC(=O)c1ccccc1F.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2-fluorobenzamide?
The InChIKey is IFVFJRYJWODUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)7-10(15)8-16-13(17)11-5-3-4-6-12(11)14/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-methylpentyl)-2-fluorobenzamide?
N-(2-amino-4-methylpentyl)-2-fluorobenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2-fluorobenzamide is sourced from PubChem (CID 107158830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).