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

C22H22FN3O2 — CID 17424558

IUPACN-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N(C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H22FN3O2/c1-15(22(28)25-20-12-6-5-11-18(20)23)26(2)14-21(27)24-19-13-7-9-16-8-3-4-10-17(16)19/h3-13,15H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyAZHUKVCBLLMGQH-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.88
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide (PubChem CID 17424558) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide
PubChem CID17424558
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N(C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H22FN3O2/c1-15(22(28)25-20-12-6-5-11-18(20)23)26(2)14-21(27)24-19-13-7-9-16-8-3-4-10-17(16)19/h3-13,15H,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyAZHUKVCBLLMGQH-UHFFFAOYSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide (CID 17424558) is N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide is CC(C(=O)Nc1ccccc1F)N(C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is AZHUKVCBLLMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(22(28)25-20-12-6-5-11-18(20)23)26(2)14-21(27)24-19-13-7-9-16-8-3-4-10-17(16)19/h3-13,15H,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide?
N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 379.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 17424558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).