3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H23BrClFN2O — CID 119814216

IUPAC3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C17H22BrFN2O.ClH/c1-9(6-10-2-5-14(19)13(18)7-10)21-17(22)15-11-3-4-12(8-11)16(15)20;/h2,5,7,9,11-12,15-16H,3-4,6,8,20H2,1H3,(H,21,22);1H
InChIKeyIDAMRLOSULUMOR-UHFFFAOYSA-N
MW405.74 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119814216) has the molecular formula C17H23BrClFN2O and a molecular weight of 405.74 g/mol. Its IUPAC name is 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119814216
Molecular FormulaC17H23BrClFN2O
Molecular Weight405.74 g/mol
Exact Mass404.07
IUPAC Name3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C17H22BrFN2O.ClH/c1-9(6-10-2-5-14(19)13(18)7-10)21-17(22)15-11-3-4-12(8-11)16(15)20;/h2,5,7,9,11-12,15-16H,3-4,6,8,20H2,1H3,(H,21,22);1H
InChIKeyIDAMRLOSULUMOR-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride 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

2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119796724
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119341116
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]acetamide
CID 119814233
3-amino-N-(1-cyclopropylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119784586
7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
CID 119814208
3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 102853783
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119814216) is 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(Cc1ccc(F)c(Br)c1)NC(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is IDAMRLOSULUMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrFN2O.ClH/c1-9(6-10-2-5-14(19)13(18)7-10)21-17(22)15-11-3-4-12(8-11)16(15)20;/h2,5,7,9,11-12,15-16H,3-4,6,8,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 405.74 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119814216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).