N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide

C22H21FN2O2 — CID 55568477

IUPACN-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1ccccc1F
InChIInChI=1S/C22H21FN2O2/c23-20-8-4-3-6-17(20)11-13-24-21(26)12-14-25-22(27)19-10-9-16-5-1-2-7-18(16)15-19/h1-10,15H,11-14H2,(H,24,26)(H,25,27)
InChIKeyXZZVSICIKWTANU-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.46
Rot. Bonds7

About N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55568477) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55568477
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1ccccc1F
InChIInChI=1S/C22H21FN2O2/c23-20-8-4-3-6-17(20)11-13-24-21(26)12-14-25-22(27)19-10-9-16-5-1-2-7-18(16)15-19/h1-10,15H,11-14H2,(H,24,26)(H,25,27)
InChIKeyXZZVSICIKWTANU-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55568477) is N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1ccccc1F.
What is the InChIKey of N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is XZZVSICIKWTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-20-8-4-3-6-17(20)11-13-24-21(26)12-14-25-22(27)19-10-9-16-5-1-2-7-18(16)15-19/h1-10,15H,11-14H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55568477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).