N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride

C11H14Cl3FN2O — CID 119521536

IUPACN-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cc(F)c(Cl)cc1Cl.Cl
InChIInChI=1S/C11H13Cl2FN2O.ClH/c1-11(2,5-15)16-10(17)6-3-9(14)8(13)4-7(6)12;/h3-4H,5,15H2,1-2H3,(H,16,17);1H
InChIKeyVRKXHZLDNQGRTO-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.02
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride (PubChem CID 119521536) has the molecular formula C11H14Cl3FN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
PubChem CID119521536
Molecular FormulaC11H14Cl3FN2O
Molecular Weight315.60 g/mol
Exact Mass314.02
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cc(F)c(Cl)cc1Cl.Cl
InChIInChI=1S/C11H13Cl2FN2O.ClH/c1-11(2,5-15)16-10(17)6-3-9(14)8(13)4-7(6)12;/h3-4H,5,15H2,1-2H3,(H,16,17);1H
InChIKeyVRKXHZLDNQGRTO-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82771628
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194
3-[(2-chloro-4,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672306
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
CID 112701308
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 63194127
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride (CID 119521536) is N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride is CC(C)(CN)NC(=O)c1cc(F)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
The InChIKey is VRKXHZLDNQGRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O.ClH/c1-11(2,5-15)16-10(17)6-3-9(14)8(13)4-7(6)12;/h3-4H,5,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride has a molecular weight of 315.60 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119521536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).