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

C14H15BrCl2N2O — CID 107790133

IUPAC3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H15BrCl2N2O/c15-8-3-4-9(12(17)11(8)16)19-14(20)10-6-1-2-7(5-6)13(10)18/h3-4,6-7,10,13H,1-2,5,18H2,(H,19,20)
InChIKeyHTTXHUXXXDDLLQ-UHFFFAOYSA-N
MW378.10 g/mol
LogP4.07
Rot. Bonds2

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

3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107790133) has the molecular formula C14H15BrCl2N2O and a molecular weight of 378.10 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107790133
Molecular FormulaC14H15BrCl2N2O
Molecular Weight378.10 g/mol
Exact Mass375.97
IUPAC Name3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H15BrCl2N2O/c15-8-3-4-9(12(17)11(8)16)19-14(20)10-6-1-2-7(5-6)13(10)18/h3-4,6-7,10,13H,1-2,5,18H2,(H,19,20)
InChIKeyHTTXHUXXXDDLLQ-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.10
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide 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-amino-N-(5-bromo-6-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79048568
3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 102853783
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
3-amino-N-(4-bromo-3-nitrophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79759975
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104576281
2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 107790344
3-amino-N-(6-chloropyrimidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114049450
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
N-(4-bromo-2,3-dichlorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 107790383
3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119706205
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
5-[(4-bromo-2,3-dichlorophenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107792647

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 107790133) is 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HTTXHUXXXDDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrCl2N2O/c15-8-3-4-9(12(17)11(8)16)19-14(20)10-6-1-2-7(5-6)13(10)18/h3-4,6-7,10,13H,1-2,5,18H2,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 378.10 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107790133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).