N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride

C21H23Cl2N3O2 — CID 119455037

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1C(=O)NC1CC2CCC(C1)N2)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2.ClH/c22-14-7-5-13(6-8-14)20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-15-9-10-16(12-17)23-15;/h1-8,15-17,23H,9-12H2,(H,24,27)(H,25,26);1H
InChIKeySAGVGTOYRHSHAJ-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.03
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride (PubChem CID 119455037) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
PubChem CID119455037
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1C(=O)NC1CC2CCC(C1)N2)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2.ClH/c22-14-7-5-13(6-8-14)20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-15-9-10-16(12-17)23-15;/h1-8,15-17,23H,9-12H2,(H,24,27)(H,25,26);1H
InChIKeySAGVGTOYRHSHAJ-UHFFFAOYSA-N
XLogP4.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride with MolForge

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Related Compounds

N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174
2-[(4-chlorobenzoyl)carbamothioylamino]-N-cyclohexylbenzamide
CID 1015644
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylbenzoyl)benzamide
CID 119456900
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
CID 119458592
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
CID 66575367
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride (CID 119455037) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride is Cl.O=C(Nc1ccccc1C(=O)NC1CC2CCC(C1)N2)c1ccc(Cl)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride?
The InChIKey is SAGVGTOYRHSHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2.ClH/c22-14-7-5-13(6-8-14)20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-15-9-10-16(12-17)23-15;/h1-8,15-17,23H,9-12H2,(H,24,27)(H,25,26);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride has a molecular weight of 420.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119455037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).