7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride

C16H25BrClFN2O — CID 119814208

IUPAC7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C16H24BrFN2O.ClH/c1-12(10-13-7-8-15(18)14(17)11-13)20-16(21)6-4-2-3-5-9-19;/h7-8,11-12H,2-6,9-10,19H2,1H3,(H,20,21);1H
InChIKeyDCMLMTHLTMIUEG-UHFFFAOYSA-N
MW395.74 g/mol
LogP3.97
Rot. Bonds9

About 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride

7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride (PubChem CID 119814208) has the molecular formula C16H25BrClFN2O and a molecular weight of 395.74 g/mol. Its IUPAC name is 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
PubChem CID119814208
Molecular FormulaC16H25BrClFN2O
Molecular Weight395.74 g/mol
Exact Mass394.08
IUPAC Name7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C16H24BrFN2O.ClH/c1-12(10-13-7-8-15(18)14(17)11-13)20-16(21)6-4-2-3-5-9-19;/h7-8,11-12H,2-6,9-10,19H2,1H3,(H,20,21);1H
InChIKeyDCMLMTHLTMIUEG-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.74
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952337
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119341116
2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78905509
1-[3-[1-(3-bromo-4-fluorophenyl)propan-2-ylamino]-3-oxopropyl]-2,4-dioxopyrimidine-5-carboxamide
CID 166355982
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]acetamide
CID 119814233
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119814216
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride (CID 119814208) is 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride is CC(Cc1ccc(F)c(Br)c1)NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride?
The InChIKey is DCMLMTHLTMIUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2O.ClH/c1-12(10-13-7-8-15(18)14(17)11-13)20-16(21)6-4-2-3-5-9-19;/h7-8,11-12H,2-6,9-10,19H2,1H3,(H,20,21);1H.
What are the key properties of 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride?
7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride has a molecular weight of 395.74 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119814208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).