N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride

C18H22ClFN2O — CID 119521671

IUPACN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)cc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-12-4-6-13(7-5-12)14-8-9-15(16(19)10-14)17(22)21-18(2,3)11-20;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyZQQKLTPTEYUSMR-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.69
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride (PubChem CID 119521671) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
PubChem CID119521671
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)cc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-12-4-6-13(7-5-12)14-8-9-15(16(19)10-14)17(22)21-18(2,3)11-20;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyZQQKLTPTEYUSMR-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119523732
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
CID 119523159
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
CID 112701308
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119574595
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
CID 119429870
N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119522804
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride (CID 119521671) is N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride is Cc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride?
The InChIKey is ZQQKLTPTEYUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-12-4-6-13(7-5-12)14-8-9-15(16(19)10-14)17(22)21-18(2,3)11-20;/h4-10H,11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.69, 4 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-fluoro-4-(4-methylphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119521671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).