N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride

C18H21BrClFN2O — CID 119526384

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(F)cc2Br)cc1.Cl
InChIInChI=1S/C18H20BrFN2O.ClH/c1-11(2)12-3-5-13(6-4-12)17(21)10-22-18(23)15-8-7-14(20)9-16(15)19;/h3-9,11,17H,10,21H2,1-2H3,(H,22,23);1H
InChIKeySMGLYGGCVSGDGJ-UHFFFAOYSA-N
MW415.73 g/mol
LogP4.56
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride (PubChem CID 119526384) has the molecular formula C18H21BrClFN2O and a molecular weight of 415.73 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
PubChem CID119526384
Molecular FormulaC18H21BrClFN2O
Molecular Weight415.73 g/mol
Exact Mass414.05
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc(F)cc2Br)cc1.Cl
InChIInChI=1S/C18H20BrFN2O.ClH/c1-11(2)12-3-5-13(6-4-12)17(21)10-22-18(23)15-8-7-14(20)9-16(15)19;/h3-9,11,17H,10,21H2,1-2H3,(H,22,23);1H
InChIKeySMGLYGGCVSGDGJ-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119525524
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride (CID 119526384) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2ccc(F)cc2Br)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride?
The InChIKey is SMGLYGGCVSGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O.ClH/c1-11(2)12-3-5-13(6-4-12)17(21)10-22-18(23)15-8-7-14(20)9-16(15)19;/h3-9,11,17H,10,21H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride has a molecular weight of 415.73 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119526384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).