N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide

C21H20FN3O2 — CID 2465272

IUPACN-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20FN3O2/c1-25(13-20(26)23-17-9-5-8-16(22)12-17)14-21(27)24-19-11-4-7-15-6-2-3-10-18(15)19/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNTRBSOGQKKHDGI-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.49
Rot. Bonds6

About N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide (PubChem CID 2465272) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide
PubChem CID2465272
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20FN3O2/c1-25(13-20(26)23-17-9-5-8-16(22)12-17)14-21(27)24-19-11-4-7-15-6-2-3-10-18(15)19/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNTRBSOGQKKHDGI-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide (CID 2465272) is N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is NTRBSOGQKKHDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-25(13-20(26)23-17-9-5-8-16(22)12-17)14-21(27)24-19-11-4-7-15-6-2-3-10-18(15)19/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 2465272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).