5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride

C22H25Cl2N3O2 — CID 119789178

IUPAC5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H24ClN3O2.ClH/c23-20-9-8-18(13-19(20)22(28)26-15-4-2-1-3-5-15)25-21(27)12-14-10-16-6-7-17(11-14)24-16;/h1-5,8-9,13-14,16-17,24H,6-7,10-12H2,(H,25,27)(H,26,28);1H
InChIKeyCTTXFYAWLFVCLA-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.87
Rot. Bonds5

About 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride

5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride (PubChem CID 119789178) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
PubChem CID119789178
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H24ClN3O2.ClH/c23-20-9-8-18(13-19(20)22(28)26-15-4-2-1-3-5-15)25-21(27)12-14-10-16-6-7-17(11-14)24-16;/h1-5,8-9,13-14,16-17,24H,6-7,10-12H2,(H,25,27)(H,26,28);1H
InChIKeyCTTXFYAWLFVCLA-UHFFFAOYSA-N
XLogP4.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride with MolForge

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Related Compounds

5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide
CID 119742671
methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701069
N-(6-anilino-3-pyridinyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119870635

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride?
The IUPAC name of 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride (CID 119789178) is 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride.
What is the SMILES notation for 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride?
The canonical SMILES for 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride?
The InChIKey is CTTXFYAWLFVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2.ClH/c23-20-9-8-18(13-19(20)22(28)26-15-4-2-1-3-5-15)25-21(27)12-14-10-16-6-7-17(11-14)24-16;/h1-5,8-9,13-14,16-17,24H,6-7,10-12H2,(H,25,27)(H,26,28);1H.
What are the key properties of 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride?
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride has a molecular weight of 434.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride is sourced from PubChem (CID 119789178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).