3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide

C18H20FNO2 — CID 134003498

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(C)c2)cc1F
InChIInChI=1S/C18H20FNO2/c1-13-4-3-5-15(10-13)12-20-18(21)9-7-14-6-8-17(22-2)16(19)11-14/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,20,21)
InChIKeyRDQMTUYWMBUFLS-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.39
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 134003498) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID134003498
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccc(C)c2)cc1F
InChIInChI=1S/C18H20FNO2/c1-13-4-3-5-15(10-13)12-20-18(21)9-7-14-6-8-17(22-2)16(19)11-14/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,20,21)
InChIKeyRDQMTUYWMBUFLS-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
CID 55958053
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide (CID 134003498) is 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cccc(C)c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is RDQMTUYWMBUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-4-3-5-15(10-13)12-20-18(21)9-7-14-6-8-17(22-2)16(19)11-14/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 301.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 134003498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).