N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide

C20H18FNO2 — CID 24535452

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C20H18FNO2/c1-13-7-8-14(9-18(13)21)12-22-20(23)17-10-15-5-3-4-6-16(15)11-19(17)24-2/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyRBNJRBUAHZUUCY-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.23
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 24535452) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID24535452
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C20H18FNO2/c1-13-7-8-14(9-18(13)21)12-22-20(23)17-10-15-5-3-4-6-16(15)11-19(17)24-2/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyRBNJRBUAHZUUCY-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
CID 43910398
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42459438
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
CID 167945432
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18225243
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide (CID 24535452) is N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is RBNJRBUAHZUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-13-7-8-14(9-18(13)21)12-22-20(23)17-10-15-5-3-4-6-16(15)11-19(17)24-2/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 24535452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).