N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide

C14H18BrFN2O — CID 115272674

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
SMILESCN(CC1(CN)CC1)C(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H18BrFN2O/c1-18(9-14(8-17)4-5-14)13(19)7-10-6-11(15)2-3-12(10)16/h2-3,6H,4-5,7-9,17H2,1H3
InChIKeyJRDRAYITSYNQRU-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.33
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide (PubChem CID 115272674) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
PubChem CID115272674
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
SMILESCN(CC1(CN)CC1)C(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H18BrFN2O/c1-18(9-14(8-17)4-5-14)13(19)7-10-6-11(15)2-3-12(10)16/h2-3,6H,4-5,7-9,17H2,1H3
InChIKeyJRDRAYITSYNQRU-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
1-[1-(aminomethyl)cyclohexyl]-3-(5-bromo-2-fluorophenyl)propan-2-one
CID 116614498
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
CID 115272725
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(5-methylfuran-2-yl)acetamide
CID 115272681
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide (CID 115272674) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide is CN(CC1(CN)CC1)C(=O)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide?
The InChIKey is JRDRAYITSYNQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18(9-14(8-17)4-5-14)13(19)7-10-6-11(15)2-3-12(10)16/h2-3,6H,4-5,7-9,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide has a molecular weight of 329.21 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 115272674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).