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

C18H21ClF2N2O2 — CID 119523159

IUPACN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)c(F)c1.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-18(2,10-21)22-17(23)14-6-4-11(8-15(14)19)13-7-5-12(24-3)9-16(13)20;/h4-9H,10,21H2,1-3H3,(H,22,23);1H
InChIKeyMRBPVRAPGAZXQA-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.53
Rot. Bonds5

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

N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride (PubChem CID 119523159) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
PubChem CID119523159
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)c(F)c1.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-18(2,10-21)22-17(23)14-6-4-11(8-15(14)19)13-7-5-12(24-3)9-16(13)20;/h4-9H,10,21H2,1-3H3,(H,22,23);1H
InChIKeyMRBPVRAPGAZXQA-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
CID 119476668
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119574595
2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828496
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
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
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
CID 113341083
methyl (2S)-3-[cyclopropyl-[2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzoyl]amino]-2-methylpropanoate
CID 97312116

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride (CID 119523159) is N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride is COc1ccc(-c2ccc(C(=O)NC(C)(C)CN)c(F)c2)c(F)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is MRBPVRAPGAZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c1-18(2,10-21)22-17(23)14-6-4-11(8-15(14)19)13-7-5-12(24-3)9-16(13)20;/h4-9H,10,21H2,1-3H3,(H,22,23);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.53, 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-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119523159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).