N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide

C19H21FN2O4 — CID 108538638

IUPACN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4/c1-25-16-10-14(11-17(12-16)26-2)19(24)22-8-7-21-18(23)9-13-3-5-15(20)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNGAHHJSXKYEWTF-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.93
Rot. Bonds8

About N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 108538638) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
PubChem CID108538638
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4/c1-25-16-10-14(11-17(12-16)26-2)19(24)22-8-7-21-18(23)9-13-3-5-15(20)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNGAHHJSXKYEWTF-UHFFFAOYSA-N
XLogP1.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787364
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide (CID 108538638) is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is NGAHHJSXKYEWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-16-10-14(11-17(12-16)26-2)19(24)22-8-7-21-18(23)9-13-3-5-15(20)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108538638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).