actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C22H23AcCl2N3O2 — CID 22957243

IUPACactinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(NC1c2cc(/N=C/N3CCCC3)ccc2CCC1O)c1ccc(Cl)c(Cl)c1.[Ac]
InChIInChI=1S/C22H23Cl2N3O2.Ac/c23-18-7-4-15(11-19(18)24)22(29)26-21-17-12-16(25-13-27-9-1-2-10-27)6-3-14(17)5-8-20(21)28;/h3-4,6-7,11-13,20-21,28H,1-2,5,8-10H2,(H,26,29);/b25-13+;
InChIKeyLJZLCIFUAKFUJW-FEIRLWDVSA-N
MW659.35 g/mol
LogP4.53
Rot. Bonds4

About actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 22957243) has the molecular formula C22H23AcCl2N3O2 and a molecular weight of 659.35 g/mol. Its IUPAC name is actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Nameactinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID22957243
Molecular FormulaC22H23AcCl2N3O2
Molecular Weight659.35 g/mol
Exact Mass658.14
IUPAC Nameactinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(NC1c2cc(/N=C/N3CCCC3)ccc2CCC1O)c1ccc(Cl)c(Cl)c1.[Ac]
InChIInChI=1S/C22H23Cl2N3O2.Ac/c23-18-7-4-15(11-19(18)24)22(29)26-21-17-12-16(25-13-27-9-1-2-10-27)6-3-14(17)5-8-20(21)28;/h3-4,6-7,11-13,20-21,28H,1-2,5,8-10H2,(H,26,29);/b25-13+;
InChIKeyLJZLCIFUAKFUJW-FEIRLWDVSA-N
XLogP4.53
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.35
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide
CID 77258966
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CID 102358584
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
4-[(7S,8S)-8-[(4-fluorobenzoyl)amino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]piperazine-1-carboxylic acid
CID 67280657
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
CID 23587601
3,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943514
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide
CID 23398433
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749

Frequently Asked Questions

What is the IUPAC name of actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 22957243) is actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(NC1c2cc(/N=C/N3CCCC3)ccc2CCC1O)c1ccc(Cl)c(Cl)c1.[Ac].
What is the InChIKey of actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is LJZLCIFUAKFUJW-FEIRLWDVSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2.Ac/c23-18-7-4-15(11-19(18)24)22(29)26-21-17-12-16(25-13-27-9-1-2-10-27)6-3-14(17)5-8-20(21)28;/h3-4,6-7,11-13,20-21,28H,1-2,5,8-10H2,(H,26,29);/b25-13+;.
What are the key properties of actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 659.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3,4-dichloro-N-[2-hydroxy-7-(pyrrolidin-1-ylmethylideneamino)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 22957243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).