N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide

C23H25FN2O2 — CID 172667849

IUPACN-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
SMILESCOc1ccc(-c2cccc3cc(C(=O)N(C)CCN(C)C)ccc23)c(F)c1
InChIInChI=1S/C23H25FN2O2/c1-25(2)12-13-26(3)23(27)17-8-10-19-16(14-17)6-5-7-20(19)21-11-9-18(28-4)15-22(21)24/h5-11,14-15H,12-13H2,1-4H3
InChIKeyQLIPNVSWBPWDBH-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 172667849) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
PubChem CID172667849
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
SMILESCOc1ccc(-c2cccc3cc(C(=O)N(C)CCN(C)C)ccc23)c(F)c1
InChIInChI=1S/C23H25FN2O2/c1-25(2)12-13-26(3)23(27)17-8-10-19-16(14-17)6-5-7-20(19)21-11-9-18(28-4)15-22(21)24/h5-11,14-15H,12-13H2,1-4H3
InChIKeyQLIPNVSWBPWDBH-UHFFFAOYSA-N
XLogP4.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluoro-5-methoxyphenyl)-N-(4-hydroxybutan-2-yl)-N-methylnaphthalene-2-carboxamide
CID 172657125
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 18563836
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide (CID 172667849) is N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide is COc1ccc(-c2cccc3cc(C(=O)N(C)CCN(C)C)ccc23)c(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is QLIPNVSWBPWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-25(2)12-13-26(3)23(27)17-8-10-19-16(14-17)6-5-7-20(19)21-11-9-18(28-4)15-22(21)24/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(2-fluoro-4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 172667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).