3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H22F2N2O — CID 119796283

IUPAC3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCC(NC(=O)C1C2CCC(C2)C1N)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O/c1-2-14(12-6-5-11(18)8-13(12)19)21-17(22)15-9-3-4-10(7-9)16(15)20/h5-6,8-10,14-16H,2-4,7,20H2,1H3,(H,21,22)
InChIKeyUHFXBIMMHDKNDJ-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119796283) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119796283
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Name3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCC(NC(=O)C1C2CCC(C2)C1N)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O/c1-2-14(12-6-5-11(18)8-13(12)19)21-17(22)15-9-3-4-10(7-9)16(15)20/h5-6,8-10,14-16H,2-4,7,20H2,1H3,(H,21,22)
InChIKeyUHFXBIMMHDKNDJ-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
2-[1-(2,4-difluorophenyl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977047
(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934200
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)propyl]oxane-4-carboxamide
CID 120934203
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119814216
(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
CID 97098048
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119796283) is 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide is CCC(NC(=O)C1C2CCC(C2)C1N)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UHFXBIMMHDKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-2-14(12-6-5-11(18)8-13(12)19)21-17(22)15-9-3-4-10(7-9)16(15)20/h5-6,8-10,14-16H,2-4,7,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.91, 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-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119796283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).