N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide

C18H19FN2O4 — CID 108538277

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-24-14-4-3-5-15(25-2)16(14)18(23)21-11-10-20-17(22)12-6-8-13(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVSWQJYQSBQPJBO-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.00
Rot. Bonds7

About N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide

N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide (PubChem CID 108538277) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
PubChem CID108538277
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4/c1-24-14-4-3-5-15(25-2)16(14)18(23)21-11-10-20-17(22)12-6-8-13(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVSWQJYQSBQPJBO-UHFFFAOYSA-N
XLogP2.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.00
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-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
CID 110665737
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[[(4-fluorobenzoyl)amino]carbamothioyl]-2,6-dimethoxybenzamide
CID 154155168

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide (CID 108538277) is N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is VSWQJYQSBQPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-14-4-3-5-15(25-2)16(14)18(23)21-11-10-20-17(22)12-6-8-13(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide?
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 346.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 108538277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).