7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C14H14BrClN2O3 — CID 107614612

IUPAC7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O3/c15-10-3-1-7(5-11(10)16)17-14(21)18-8-2-4-12(18)9(6-8)13(19)20/h1,3,5,8-9,12H,2,4,6H2,(H,17,21)(H,19,20)
InChIKeyWAHRZQASWJKGQI-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.57
Rot. Bonds2

About 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 107614612) has the molecular formula C14H14BrClN2O3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID107614612
Molecular FormulaC14H14BrClN2O3
Molecular Weight373.63 g/mol
Exact Mass371.99
IUPAC Name7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2O3/c15-10-3-1-7(5-11(10)16)17-14(21)18-8-2-4-12(18)9(6-8)13(19)20/h1,3,5,8-9,12H,2,4,6H2,(H,17,21)(H,19,20)
InChIKeyWAHRZQASWJKGQI-UHFFFAOYSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79046085
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
7-(3-bromo-4-chlorobenzoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 107997952
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
(1S,2R,3R,4R)-3-[(4-bromo-3-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6554177
1-[(4-bromo-3-chlorophenyl)carbamoyl]azepane-2-carboxylic acid
CID 107614585
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
1-[(4-bromo-3-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107614576
N-(3,4-dichlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186665
7-(2-chlorofuran-3-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106683514
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(4-bromo-3-chlorophenyl)methanone
CID 81307421

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 107614612) is 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is WAHRZQASWJKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O3/c15-10-3-1-7(5-11(10)16)17-14(21)18-8-2-4-12(18)9(6-8)13(19)20/h1,3,5,8-9,12H,2,4,6H2,(H,17,21)(H,19,20).
What are the key properties of 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 373.63 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 107614612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).