N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide

C12H14BrFN2O2 — CID 86788556

IUPACN-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide
SMILESNC(=O)CCNC(=O)CCc1cc(F)ccc1Br
InChIInChI=1S/C12H14BrFN2O2/c13-10-3-2-9(14)7-8(10)1-4-12(18)16-6-5-11(15)17/h2-3,7H,1,4-6H2,(H2,15,17)(H,16,18)
InChIKeyCQDSXRAHWPUPAI-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.51
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide

N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide (PubChem CID 86788556) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide
PubChem CID86788556
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC NameN-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide
SMILESNC(=O)CCNC(=O)CCc1cc(F)ccc1Br
InChIInChI=1S/C12H14BrFN2O2/c13-10-3-2-9(14)7-8(10)1-4-12(18)16-6-5-11(15)17/h2-3,7H,1,4-6H2,(H2,15,17)(H,16,18)
InChIKeyCQDSXRAHWPUPAI-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide 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

3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
3-(2-bromo-5-fluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)propanamide
CID 86798584
(2R)-2-[3-(2-bromo-5-fluorophenyl)propanoylamino]propanoic acid
CID 120526889
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
3-(2-bromo-5-fluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 75520435
3-(2-bromo-5-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 75503637
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470
3-(2-bromo-5-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 75503635
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
(E)-2-[3-(2-bromo-5-fluorophenyl)propanoylamino]hex-4-enoic acid
CID 120692986

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide (CID 86788556) is N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide is NC(=O)CCNC(=O)CCc1cc(F)ccc1Br.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide?
The InChIKey is CQDSXRAHWPUPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-10-3-2-9(14)7-8(10)1-4-12(18)16-6-5-11(15)17/h2-3,7H,1,4-6H2,(H2,15,17)(H,16,18).
What are the key properties of N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide?
N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide has a molecular weight of 317.16 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide is sourced from PubChem (CID 86788556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).