3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

C19H21FN2O3 — CID 35350696

IUPAC3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1F
InChIInChI=1S/C19H21FN2O3/c1-14-7-8-15(13-17(14)20)19(24)22-11-10-21-18(23)9-12-25-16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLDPXTRFSKDTCOY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.45
Rot. Bonds8

About 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (PubChem CID 35350696) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
PubChem CID35350696
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1F
InChIInChI=1S/C19H21FN2O3/c1-14-7-8-15(13-17(14)20)19(24)22-11-10-21-18(23)9-12-25-16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyLDPXTRFSKDTCOY-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.45
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

3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-fluoro-4-methylbenzoate
CID 9386992
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (CID 35350696) is 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The InChIKey is LDPXTRFSKDTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14-7-8-15(13-17(14)20)19(24)22-11-10-21-18(23)9-12-25-16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is sourced from PubChem (CID 35350696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).