N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide

C14H19BrFN3O2 — CID 119583493

IUPACN-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
SMILESCC(CN)N(C)C(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN3O2/c1-9(8-17)19(2)13(20)5-6-18-14(21)11-7-10(16)3-4-12(11)15/h3-4,7,9H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyXOOWCQIFXAJKGT-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.51
Rot. Bonds6

About N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide

N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide (PubChem CID 119583493) has the molecular formula C14H19BrFN3O2 and a molecular weight of 360.23 g/mol. Its IUPAC name is N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
PubChem CID119583493
Molecular FormulaC14H19BrFN3O2
Molecular Weight360.23 g/mol
Exact Mass359.06
IUPAC NameN-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
SMILESCC(CN)N(C)C(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN3O2/c1-9(8-17)19(2)13(20)5-6-18-14(21)11-7-10(16)3-4-12(11)15/h3-4,7,9H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyXOOWCQIFXAJKGT-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
3-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoyl-ethylamino]propanoic acid
CID 119191093
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]butanoic acid
CID 119223499
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-5-fluoro-N-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 55792700
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide?
The IUPAC name of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide (CID 119583493) is N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide is CC(CN)N(C)C(=O)CCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide?
The InChIKey is XOOWCQIFXAJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O2/c1-9(8-17)19(2)13(20)5-6-18-14(21)11-7-10(16)3-4-12(11)15/h3-4,7,9H,5-6,8,17H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide?
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide has a molecular weight of 360.23 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 119583493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).