N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide

C15H22BrFN2O — CID 79668083

IUPACN-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H22BrFN2O/c1-4-7-19(10-15(2,3)9-18)14(20)12-8-11(17)5-6-13(12)16/h5-6,8H,4,7,9-10,18H2,1-3H3
InChIKeyILGUZRRKAQATRG-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.43
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide (PubChem CID 79668083) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
PubChem CID79668083
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H22BrFN2O/c1-4-7-19(10-15(2,3)9-18)14(20)12-8-11(17)5-6-13(12)16/h5-6,8H,4,7,9-10,18H2,1-3H3
InChIKeyILGUZRRKAQATRG-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
CID 79667920
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
CID 79667687
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide (CID 79668083) is N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide is CCCN(CC(C)(C)CN)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide?
The InChIKey is ILGUZRRKAQATRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-4-7-19(10-15(2,3)9-18)14(20)12-8-11(17)5-6-13(12)16/h5-6,8H,4,7,9-10,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide has a molecular weight of 345.26 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide is sourced from PubChem (CID 79668083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).