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

C23H27FN2O5 — CID 152821046

IUPACN-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCN2CCOCC2)cc1OC
InChIInChI=1S/C23H27FN2O5/c1-29-21-14-17(20(27)8-5-9-26-10-12-31-13-11-26)19(15-22(21)30-2)25-23(28)16-6-3-4-7-18(16)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,25,28)
InChIKeySTUQQWQJJMHDML-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.39
Rot. Bonds9

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

N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide (PubChem CID 152821046) has the molecular formula C23H27FN2O5 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide
PubChem CID152821046
Molecular FormulaC23H27FN2O5
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC NameN-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCN2CCOCC2)cc1OC
InChIInChI=1S/C23H27FN2O5/c1-29-21-14-17(20(27)8-5-9-26-10-12-31-13-11-26)19(15-22(21)30-2)25-23(28)16-6-3-4-7-18(16)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,25,28)
InChIKeySTUQQWQJJMHDML-UHFFFAOYSA-N
XLogP3.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 459611
6-(2-Fluorophenyl)-1,3-dioxolo(4,5-g)quinolin-8(5H)-one
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4-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
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4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
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N-(7-(4-Methylbenzoyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 1252935
6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155511816
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
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-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide (CID 152821046) is N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide is COc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCN2CCOCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide?
The InChIKey is STUQQWQJJMHDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5/c1-29-21-14-17(20(27)8-5-9-26-10-12-31-13-11-26)19(15-22(21)30-2)25-23(28)16-6-3-4-7-18(16)24/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,25,28).
What are the key properties of N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide?
N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide has a molecular weight of 430.48 g/mol, XLogP of 3.39, 9 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-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 152821046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).