N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride

C14H19BrClFN2O3S — CID 119574490

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C1CC1.Cl
InChIInChI=1S/C14H18BrFN2O3S.ClH/c1-14(7-17,8-3-4-8)18-13(19)10-5-9(15)6-11(12(10)16)22(2,20)21;/h5-6,8H,3-4,7,17H2,1-2H3,(H,18,19);1H
InChIKeyAQHIBTQRSMDTEB-UHFFFAOYSA-N
MW429.74 g/mol
LogP2.27
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride (PubChem CID 119574490) has the molecular formula C14H19BrClFN2O3S and a molecular weight of 429.74 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
PubChem CID119574490
Molecular FormulaC14H19BrClFN2O3S
Molecular Weight429.74 g/mol
Exact Mass428.00
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C1CC1.Cl
InChIInChI=1S/C14H18BrFN2O3S.ClH/c1-14(7-17,8-3-4-8)18-13(19)10-5-9(15)6-11(12(10)16)22(2,20)21;/h5-6,8H,3-4,7,17H2,1-2H3,(H,18,19);1H
InChIKeyAQHIBTQRSMDTEB-UHFFFAOYSA-N
XLogP2.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide
CID 119523628
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119574388
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119575026
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424
N-(3-aminobutyl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 119497735
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297765
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119574464
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride (CID 119574490) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride is CC(CN)(NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride?
The InChIKey is AQHIBTQRSMDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O3S.ClH/c1-14(7-17,8-3-4-8)18-13(19)10-5-9(15)6-11(12(10)16)22(2,20)21;/h5-6,8H,3-4,7,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride has a molecular weight of 429.74 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119574490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).