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

C21H25ClN4O2 — CID 119457174

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C21H24N4O2.ClH/c26-20(23-19-12-17-10-11-18(13-19)22-17)14-6-8-16(9-7-14)25-21(27)24-15-4-2-1-3-5-15;/h1-9,17-19,22H,10-13H2,(H,23,26)(H2,24,25,27);1H
InChIKeyDPALNTDKACPPCP-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.77
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride (PubChem CID 119457174) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
PubChem CID119457174
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C21H24N4O2.ClH/c26-20(23-19-12-17-10-11-18(13-19)22-17)14-6-8-16(9-7-14)25-21(27)24-15-4-2-1-3-5-15;/h1-9,17-19,22H,10-13H2,(H,23,26)(H2,24,25,27);1H
InChIKeyDPALNTDKACPPCP-UHFFFAOYSA-N
XLogP3.77
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
CID 119458968
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119458614

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride (CID 119457174) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride is Cl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is DPALNTDKACPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c26-20(23-19-12-17-10-11-18(13-19)22-17)14-6-8-16(9-7-14)25-21(27)24-15-4-2-1-3-5-15;/h1-9,17-19,22H,10-13H2,(H,23,26)(H2,24,25,27);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 4 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)-4-(phenylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119457174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).