N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide

C20H23FN2O4 — CID 33328596

IUPACN-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-4-27-17-8-7-15(12-18(17)26-3)20(25)23-10-9-22-19(24)14-6-5-13(2)16(21)11-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCARVTYUZIMLWNT-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide

N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 33328596) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID33328596
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-4-27-17-8-7-15(12-18(17)26-3)20(25)23-10-9-22-19(24)14-6-5-13(2)16(21)11-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCARVTYUZIMLWNT-UHFFFAOYSA-N
XLogP2.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.70
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

4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308893
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 46486231
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
N-[2-[[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111214316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide (CID 33328596) is N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide is CCOc1ccc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is CARVTYUZIMLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-4-27-17-8-7-15(12-18(17)26-3)20(25)23-10-9-22-19(24)14-6-5-13(2)16(21)11-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 374.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 33328596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).