2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride

C19H26Cl2N2O — CID 119772678

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H25ClN2O.ClH/c20-15-3-1-14(2-4-15)19(7-8-19)12-21-18(23)11-13-9-16-5-6-17(10-13)22-16;/h1-4,13,16-17,22H,5-12H2,(H,21,23);1H
InChIKeyRYJRZFKQODSOEB-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.83
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride (PubChem CID 119772678) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
PubChem CID119772678
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H25ClN2O.ClH/c20-15-3-1-14(2-4-15)19(7-8-19)12-21-18(23)11-13-9-16-5-6-17(10-13)22-16;/h1-4,13,16-17,22H,5-12H2,(H,21,23);1H
InChIKeyRYJRZFKQODSOEB-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
CID 119752290
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide
CID 119725578
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 79607334
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417257
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119699940
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride (CID 119772678) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
The InChIKey is RYJRZFKQODSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O.ClH/c20-15-3-1-14(2-4-15)19(7-8-19)12-21-18(23)11-13-9-16-5-6-17(10-13)22-16;/h1-4,13,16-17,22H,5-12H2,(H,21,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride has a molecular weight of 369.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119772678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).