3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide

C19H21FN2O3 — CID 33327149

IUPAC3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
SMILESCOCc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c1-13-6-7-16(11-17(13)20)19(24)22-9-8-21-18(23)15-5-3-4-14(10-15)12-25-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWJQAWTFBKIGRCS-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.44
Rot. Bonds7

About 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide

3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide (PubChem CID 33327149) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
PubChem CID33327149
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
SMILESCOCc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c1-13-6-7-16(11-17(13)20)19(24)22-9-8-21-18(23)15-5-3-4-14(10-15)12-25-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWJQAWTFBKIGRCS-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide (CID 33327149) is 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide is COCc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is WJQAWTFBKIGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13-6-7-16(11-17(13)20)19(24)22-9-8-21-18(23)15-5-3-4-14(10-15)12-25-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide?
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 33327149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).