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

C20H24ClFN2O2 — CID 119574595

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(C(=O)NC(C)(CN)C3CC3)c(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-20(12-22,15-6-7-15)23-19(24)17-10-5-14(11-18(17)21)13-3-8-16(25-2)9-4-13;/h3-5,8-11,15H,6-7,12,22H2,1-2H3,(H,23,24);1H
InChIKeyFCJSFVIOYPZQAR-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.78
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride (PubChem CID 119574595) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
PubChem CID119574595
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(C(=O)NC(C)(CN)C3CC3)c(F)c2)cc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-20(12-22,15-6-7-15)23-19(24)17-10-5-14(11-18(17)21)13-3-8-16(25-2)9-4-13;/h3-5,8-11,15H,6-7,12,22H2,1-2H3,(H,23,24);1H
InChIKeyFCJSFVIOYPZQAR-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.78
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-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
CID 119523159
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 119574777
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119997585
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride (CID 119574595) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride is COc1ccc(-c2ccc(C(=O)NC(C)(CN)C3CC3)c(F)c2)cc1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is FCJSFVIOYPZQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c1-20(12-22,15-6-7-15)23-19(24)17-10-5-14(11-18(17)21)13-3-8-16(25-2)9-4-13;/h3-5,8-11,15H,6-7,12,22H2,1-2H3,(H,23,24);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119574595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).