3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H15BrF2N2O — CID 102853783

IUPAC3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H15BrF2N2O/c15-8-4-11(10(17)5-9(8)16)19-14(20)12-6-1-2-7(3-6)13(12)18/h4-7,12-13H,1-3,18H2,(H,19,20)
InChIKeyREPRPAHQNBNBKC-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.04
Rot. Bonds2

About 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 102853783) has the molecular formula C14H15BrF2N2O and a molecular weight of 345.19 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID102853783
Molecular FormulaC14H15BrF2N2O
Molecular Weight345.19 g/mol
Exact Mass344.03
IUPAC Name3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H15BrF2N2O/c15-8-4-11(10(17)5-9(8)16)19-14(20)12-6-1-2-7(3-6)13(12)18/h4-7,12-13H,1-3,18H2,(H,19,20)
InChIKeyREPRPAHQNBNBKC-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107790133
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102852552
3-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79048568
(1S,2R,3R,4S)-3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 50898191
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119814216
N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
4-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 102854445

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 102853783) is 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is REPRPAHQNBNBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2O/c15-8-4-11(10(17)5-9(8)16)19-14(20)12-6-1-2-7(3-6)13(12)18/h4-7,12-13H,1-3,18H2,(H,19,20).
What are the key properties of 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 345.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 102853783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).