N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide

C18H19FN2O4 — CID 17191634

IUPACN-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4/c1-24-15-9-12(10-16(11-15)25-2)18(23)20-8-7-17(22)21-14-5-3-13(19)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySTUZWTFPTSWKJV-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.60
Rot. Bonds7

About N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide

N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide (PubChem CID 17191634) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
PubChem CID17191634
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O4/c1-24-15-9-12(10-16(11-15)25-2)18(23)20-8-7-17(22)21-14-5-3-13(19)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySTUZWTFPTSWKJV-UHFFFAOYSA-N
XLogP2.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191638
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide (CID 17191634) is N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The InChIKey is STUZWTFPTSWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-15-9-12(10-16(11-15)25-2)18(23)20-8-7-17(22)21-14-5-3-13(19)4-6-14/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide has a molecular weight of 346.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).