N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide

C24H29FN2O5 — CID 158108859

IUPACN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCCN2CCOCC2)cc1OC
InChIInChI=1S/C24H29FN2O5/c1-30-22-15-18(21(28)9-5-6-10-27-11-13-32-14-12-27)20(16-23(22)31-2)26-24(29)17-7-3-4-8-19(17)25/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,26,29)
InChIKeyFQECYJRBGCCTON-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.78
Rot. Bonds10

About N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide

N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide (PubChem CID 158108859) has the molecular formula C24H29FN2O5 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide
PubChem CID158108859
Molecular FormulaC24H29FN2O5
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC NameN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCCN2CCOCC2)cc1OC
InChIInChI=1S/C24H29FN2O5/c1-30-22-15-18(21(28)9-5-6-10-27-11-13-32-14-12-27)20(16-23(22)31-2)26-24(29)17-7-3-4-8-19(17)25/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,26,29)
InChIKeyFQECYJRBGCCTON-UHFFFAOYSA-N
XLogP3.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
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6-[2-[bis(3,3,3-trifluoropropyl)amino]ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155530530
7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
CID 155531223
6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155546445
4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 775341
(3,4-Dihydro-2H-quinolin-1-yl)-(4,5-dimethoxy-2-nitro-phenyl)-methanone
CID 775344

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide (CID 158108859) is N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide is COc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCCN2CCOCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide?
The InChIKey is FQECYJRBGCCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O5/c1-30-22-15-18(21(28)9-5-6-10-27-11-13-32-14-12-27)20(16-23(22)31-2)26-24(29)17-7-3-4-8-19(17)25/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,26,29).
What are the key properties of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide?
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide has a molecular weight of 444.50 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 158108859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).