N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H21Cl2N3O2 — CID 119700273

IUPACN-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1Cl.Cl
InChIInChI=1S/C16H20ClN3O2.ClH/c1-8(21)19-13-5-4-11(7-12(13)17)20-16(22)14-9-2-3-10(6-9)15(14)18;/h4-5,7,9-10,14-15H,2-3,6,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyOQCBCCJKDSXENT-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.03
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119700273) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119700273
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1Cl.Cl
InChIInChI=1S/C16H20ClN3O2.ClH/c1-8(21)19-13-5-4-11(7-12(13)17)20-16(22)14-9-2-3-10(6-9)15(14)18;/h4-5,7,9-10,14-15H,2-3,6,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyOQCBCCJKDSXENT-UHFFFAOYSA-N
XLogP3.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119771619
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119781796
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119700273) is N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1Cl.Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is OQCBCCJKDSXENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/c1-8(21)19-13-5-4-11(7-12(13)17)20-16(22)14-9-2-3-10(6-9)15(14)18;/h4-5,7,9-10,14-15H,2-3,6,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119700273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).