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

C13H19Cl2FN2O — CID 119587216

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(F)c1Cl.Cl
InChIInChI=1S/C13H18ClFN2O.ClH/c1-8(2)6-9(7-16)17-13(18)10-4-3-5-11(15)12(10)14;/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18);1H
InChIKeyNENPWEBRWWLJAT-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.00
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride (PubChem CID 119587216) has the molecular formula C13H19Cl2FN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
PubChem CID119587216
Molecular FormulaC13H19Cl2FN2O
Molecular Weight309.21 g/mol
Exact Mass308.09
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(F)c1Cl.Cl
InChIInChI=1S/C13H18ClFN2O.ClH/c1-8(2)6-9(7-16)17-13(18)10-4-3-5-11(15)12(10)14;/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18);1H
InChIKeyNENPWEBRWWLJAT-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride (CID 119587216) is N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cccc(F)c1Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride?
The InChIKey is NENPWEBRWWLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O.ClH/c1-8(2)6-9(7-16)17-13(18)10-4-3-5-11(15)12(10)14;/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride has a molecular weight of 309.21 g/mol, XLogP of 3.00, 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)-2-chloro-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119587216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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