N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide

C25H24FN3O4 — CID 155519979

IUPACN-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)cc1F
InChIInChI=1S/C25H24FN3O4/c1-16(30)22-12-11-21(14-23(22)26)33-15-24(31)27-18-5-4-6-19(13-18)28-25(32)17-7-9-20(10-8-17)29(2)3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyRQCFNYSZDAYVKF-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.36
Rot. Bonds8

About N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide

N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide (PubChem CID 155519979) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide
PubChem CID155519979
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC NameN-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)cc1F
InChIInChI=1S/C25H24FN3O4/c1-16(30)22-12-11-21(14-23(22)26)33-15-24(31)27-18-5-4-6-19(13-18)28-25(32)17-7-9-20(10-8-17)29(2)3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyRQCFNYSZDAYVKF-UHFFFAOYSA-N
XLogP4.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
methyl 3-[3-[(4-acetyl-3-fluorophenoxy)methyl]anilino]-3-oxopropanoate
CID 13477625
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978
N-[3-(2-anilino-2-oxoethoxy)phenyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112846287
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55532368
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
4-tert-butyl-N-[3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46772125
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide (CID 155519979) is N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide is CC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)cc1F.
What is the InChIKey of N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide?
The InChIKey is RQCFNYSZDAYVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-16(30)22-12-11-21(14-23(22)26)33-15-24(31)27-18-5-4-6-19(13-18)28-25(32)17-7-9-20(10-8-17)29(2)3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide?
N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide has a molecular weight of 449.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-acetyl-3-fluorophenoxy)acetyl]amino]phenyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 155519979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).