N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide

C13H19FN2O — CID 55243905

IUPACN-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)6-12(8-15)16-13(17)10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8,15H2,1-2H3,(H,16,17)
InChIKeyUHEZLFMULWXKOV-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.93
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide

N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide (PubChem CID 55243905) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
PubChem CID55243905
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(2)6-12(8-15)16-13(17)10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8,15H2,1-2H3,(H,16,17)
InChIKeyUHEZLFMULWXKOV-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

N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119585743
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide (CID 55243905) is N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide is CC(C)CC(CN)NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide?
The InChIKey is UHEZLFMULWXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)6-12(8-15)16-13(17)10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide?
N-(1-amino-4-methylpentan-2-yl)-3-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-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 55243905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).