N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide

C38H47ClN4O — CID 73345915

IUPACN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1C
InChIInChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)
InChIKeyXIFDKURJIBPHLZ-UHFFFAOYSA-N
MW611.27 g/mol
LogP10.09
Rot. Bonds15

About N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide (PubChem CID 73345915) has the molecular formula C38H47ClN4O and a molecular weight of 611.27 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide
PubChem CID73345915
Molecular FormulaC38H47ClN4O
Molecular Weight611.27 g/mol
Exact Mass610.34
IUPAC NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1C
InChIInChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)
InChIKeyXIFDKURJIBPHLZ-UHFFFAOYSA-N
XLogP10.09
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.27
LogP ≤ 510.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide?
The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide (CID 73345915) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide.
What is the SMILES notation for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide?
The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide is Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1C.
What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide?
The InChIKey is XIFDKURJIBPHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44).
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide has a molecular weight of 611.27 g/mol, XLogP of 10.09, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide is sourced from PubChem (CID 73345915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).