3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide

C19H22FN3O3 — CID 32544617

IUPAC3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H22FN3O3/c1-13-3-6-15(11-17(13)20)18(24)21-9-10-22-19(25)23-12-14-4-7-16(26-2)8-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyZCGGLJFOZKJELC-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.37
Rot. Bonds7

About 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide

3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide (PubChem CID 32544617) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
PubChem CID32544617
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H22FN3O3/c1-13-3-6-15(11-17(13)20)18(24)21-9-10-22-19(25)23-12-14-4-7-16(26-2)8-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyZCGGLJFOZKJELC-UHFFFAOYSA-N
XLogP2.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3-fluoro-N-[2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111231617
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide (CID 32544617) is 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide is COc1ccc(CNC(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide?
The InChIKey is ZCGGLJFOZKJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-3-6-15(11-17(13)20)18(24)21-9-10-22-19(25)23-12-14-4-7-16(26-2)8-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide?
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide has a molecular weight of 359.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 32544617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).