4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide

C18H19FN2O3 — CID 56823918

IUPAC4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
SMILESCOCCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-24-11-10-17(22)20-12-13-2-8-16(9-3-13)21-18(23)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyYPFBOHCOMINTAQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.73
Rot. Bonds7

About 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide

4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide (PubChem CID 56823918) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
PubChem CID56823918
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
SMILESCOCCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-24-11-10-17(22)20-12-13-2-8-16(9-3-13)21-18(23)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyYPFBOHCOMINTAQ-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
N-[4-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 166205185
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide (CID 56823918) is 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide is COCCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide?
The InChIKey is YPFBOHCOMINTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-11-10-17(22)20-12-13-2-8-16(9-3-13)21-18(23)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide?
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 56823918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).