5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide

C23H24FNO3 — CID 172657125

IUPAC5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide
SMILESCOc1ccc(F)c(-c2cccc3cc(C(=O)N(C)C(C)CCO)ccc23)c1
InChIInChI=1S/C23H24FNO3/c1-15(11-12-26)25(2)23(27)17-7-9-19-16(13-17)5-4-6-20(19)21-14-18(28-3)8-10-22(21)24/h4-10,13-15,26H,11-12H2,1-3H3
InChIKeyTYEJPBNMDPFMKA-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.50
Rot. Bonds6

About 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide

5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide (PubChem CID 172657125) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide
PubChem CID172657125
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide
SMILESCOc1ccc(F)c(-c2cccc3cc(C(=O)N(C)C(C)CCO)ccc23)c1
InChIInChI=1S/C23H24FNO3/c1-15(11-12-26)25(2)23(27)17-7-9-19-16(13-17)5-4-6-20(19)21-14-18(28-3)8-10-22(21)24/h4-10,13-15,26H,11-12H2,1-3H3
InChIKeyTYEJPBNMDPFMKA-UHFFFAOYSA-N
XLogP4.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
CID 172667849
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104556200
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
[3-[cyclopropyl(dimethylamino)methyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methyl 3-[cyclopropyl(dimethylamino)methyl]-4-(2-fluoro-5-methoxyphenyl)benzoate
CID 158661002
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226527
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
N-(4-aminobutan-2-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107727840

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide (CID 172657125) is 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide is COc1ccc(F)c(-c2cccc3cc(C(=O)N(C)C(C)CCO)ccc23)c1.
What is the InChIKey of 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is TYEJPBNMDPFMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-15(11-12-26)25(2)23(27)17-7-9-19-16(13-17)5-4-6-20(19)21-14-18(28-3)8-10-22(21)24/h4-10,13-15,26H,11-12H2,1-3H3.
What are the key properties of 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide?
5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 172657125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).