N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride

C13H20Cl2N2O — CID 119588453

IUPACN-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(2)7-10(8-15)16-13(17)11-5-3-4-6-12(11)14;/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeySMVSINRHJUOGBS-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.87
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride (PubChem CID 119588453) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
PubChem CID119588453
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(2)7-10(8-15)16-13(17)11-5-3-4-6-12(11)14;/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeySMVSINRHJUOGBS-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
CID 119587216
N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
CID 119586604
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
CID 119587183

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride (CID 119588453) is N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccccc1Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride?
The InChIKey is SMVSINRHJUOGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-9(2)7-10(8-15)16-13(17)11-5-3-4-6-12(11)14;/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.87, 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-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119588453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).