N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide

C20H22FN3O4 — CID 121062171

IUPACN-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN3O4/c1-13(28-18-9-5-16(21)6-10-18)19(26)24-17-7-3-15(4-8-17)20(27)23-12-11-22-14(2)25/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyZJALEYVQCRSHKL-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.10
Rot. Bonds8

About N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide

N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide (PubChem CID 121062171) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
PubChem CID121062171
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FN3O4/c1-13(28-18-9-5-16(21)6-10-18)19(26)24-17-7-3-15(4-8-17)20(27)23-12-11-22-14(2)25/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyZJALEYVQCRSHKL-UHFFFAOYSA-N
XLogP2.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide (CID 121062171) is N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide?
The InChIKey is ZJALEYVQCRSHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-13(28-18-9-5-16(21)6-10-18)19(26)24-17-7-3-15(4-8-17)20(27)23-12-11-22-14(2)25/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide?
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide has a molecular weight of 387.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide is sourced from PubChem (CID 121062171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).