N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide

C28H26FN3O3 — CID 46503428

IUPACN-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(Nc2c3c(nc4ccc(NC(=O)c5ccccc5F)cc24)CCCC3)cc1OC
InChIInChI=1S/C28H26FN3O3/c1-34-25-14-12-18(16-26(25)35-2)30-27-20-8-4-6-10-23(20)32-24-13-11-17(15-21(24)27)31-28(33)19-7-3-5-9-22(19)29/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyMJEKDNFRUUUNBK-UHFFFAOYSA-N
MW471.53 g/mol
LogP6.27
Rot. Bonds6

About N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide

N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide (PubChem CID 46503428) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide
PubChem CID46503428
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(Nc2c3c(nc4ccc(NC(=O)c5ccccc5F)cc24)CCCC3)cc1OC
InChIInChI=1S/C28H26FN3O3/c1-34-25-14-12-18(16-26(25)35-2)30-27-20-8-4-6-10-23(20)32-24-13-11-17(15-21(24)27)31-28(33)19-7-3-5-9-22(19)29/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyMJEKDNFRUUUNBK-UHFFFAOYSA-N
XLogP6.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide
CID 46257075
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 146051450
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-4-methoxy-3-nitrobenzamide
CID 46503451
(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 6056204
(E)-3-(3-chlorophenyl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide
CID 6004990
(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 6058396
5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride
CID 146051488
4-fluoro-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-nitrobenzamide;hydrochloride
CID 146051491
6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20859027
N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 146051478
(E)-3-(2,5-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
CID 146051503
(E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
CID 146051436

Frequently Asked Questions

What is the IUPAC name of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide (CID 46503428) is N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide is COc1ccc(Nc2c3c(nc4ccc(NC(=O)c5ccccc5F)cc24)CCCC3)cc1OC.
What is the InChIKey of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide?
The InChIKey is MJEKDNFRUUUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-34-25-14-12-18(16-26(25)35-2)30-27-20-8-4-6-10-23(20)32-24-13-11-17(15-21(24)27)31-28(33)19-7-3-5-9-22(19)29/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide?
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide has a molecular weight of 471.53 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 46503428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).