3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide

C21H19FN2O2 — CID 134016137

IUPAC3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide
SMILESNC(=O)CCN(C(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c22-18-7-9-19(10-8-18)24(12-11-20(23)25)21(26)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-10,13H,11-12,14H2,(H2,23,25)
InChIKeyILKKUIBMBHCIIP-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.43
Rot. Bonds6

About 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide

3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide (PubChem CID 134016137) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide
PubChem CID134016137
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide
SMILESNC(=O)CCN(C(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c22-18-7-9-19(10-8-18)24(12-11-20(23)25)21(26)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-10,13H,11-12,14H2,(H2,23,25)
InChIKeyILKKUIBMBHCIIP-UHFFFAOYSA-N
XLogP3.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]acetyl]anilino)propanamide
CID 17419918
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 27309884
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 24526169
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
3-(N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-fluoroanilino)propanamide
CID 27310160
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 37323341
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide (CID 134016137) is 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide is NC(=O)CCN(C(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide?
The InChIKey is ILKKUIBMBHCIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-18-7-9-19(10-8-18)24(12-11-20(23)25)21(26)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-10,13H,11-12,14H2,(H2,23,25).
What are the key properties of 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide?
3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide has a molecular weight of 350.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-(2-naphthalen-2-ylacetyl)anilino)propanamide is sourced from PubChem (CID 134016137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).