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

C18H22ClFN2O2 — CID 119523732

IUPACN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)cc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-18(2,11-20)21-17(22)15-9-6-13(10-16(15)19)12-4-7-14(23-3)8-5-12;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyOGBOWLNTFWVTMJ-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.39
Rot. Bonds5

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

N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride (PubChem CID 119523732) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
PubChem CID119523732
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)cc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-18(2,11-20)21-17(22)15-9-6-13(10-16(15)19)12-4-7-14(23-3)8-5-12;/h4-10H,11,20H2,1-3H3,(H,21,22);1H
InChIKeyOGBOWLNTFWVTMJ-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119574595
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119997585
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
CID 119997586
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(1-amino-2-methylpropan-2-yl)-2,4-difluoro-5-methylbenzamide
CID 112701308
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride (CID 119523732) is N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride is COc1ccc(-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-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is OGBOWLNTFWVTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-18(2,11-20)21-17(22)15-9-6-13(10-16(15)19)12-4-7-14(23-3)8-5-12;/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-methoxyphenyl)benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).