2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide

C20H19FN2O — CID 78708039

IUPAC2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C20H19FN2O/c1-13-7-9-18(12-19(13)21)22-14(2)20(24)23-17-10-8-15-5-3-4-6-16(15)11-17/h3-12,14,22H,1-2H3,(H,23,24)
InChIKeyAVLQBMDVKNJISN-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.73
Rot. Bonds4

About 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide

2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide (PubChem CID 78708039) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
PubChem CID78708039
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C20H19FN2O/c1-13-7-9-18(12-19(13)21)22-14(2)20(24)23-17-10-8-15-5-3-4-6-16(15)11-17/h3-12,14,22H,1-2H3,(H,23,24)
InChIKeyAVLQBMDVKNJISN-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
2-[1-(2-fluorophenyl)ethylamino]-N-naphthalen-2-ylpropanamide
CID 18289661
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
CID 86924157
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide (CID 78708039) is 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide is Cc1ccc(NC(C)C(=O)Nc2ccc3ccccc3c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide?
The InChIKey is AVLQBMDVKNJISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-13-7-9-18(12-19(13)21)22-14(2)20(24)23-17-10-8-15-5-3-4-6-16(15)11-17/h3-12,14,22H,1-2H3,(H,23,24).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide?
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide has a molecular weight of 322.38 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 78708039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).