N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C22H21F2N3O2 — CID 55863046

IUPACN-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)c1c(F)cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1F
InChIInChI=1S/C22H21F2N3O2/c1-27(2)22-18(23)11-16(12-19(22)24)26-21(29)13-25-20(28)10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,11-12H,10,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNZDAVWORTMEZKC-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.48
Rot. Bonds6

About N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55863046) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55863046
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)c1c(F)cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1F
InChIInChI=1S/C22H21F2N3O2/c1-27(2)22-18(23)11-16(12-19(22)24)26-21(29)13-25-20(28)10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,11-12H,10,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyNZDAVWORTMEZKC-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide
CID 55981651
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574084
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7478533
3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide
CID 55907825
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55441060
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55863046) is N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CN(C)c1c(F)cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1F.
What is the InChIKey of N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is NZDAVWORTMEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-27(2)22-18(23)11-16(12-19(22)24)26-21(29)13-25-20(28)10-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,11-12H,10,13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 397.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55863046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).