N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide

C22H21FN2O2 — CID 43056250

IUPACN-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2/c1-15(16-8-10-20(23)11-9-16)25-21(26)12-13-24-22(27)19-7-6-17-4-2-3-5-18(17)14-19/h2-11,14-15H,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyBFNORFOWRRNYKL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.98
Rot. Bonds6

About N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 43056250) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID43056250
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2/c1-15(16-8-10-20(23)11-9-16)25-21(26)12-13-24-22(27)19-7-6-17-4-2-3-5-18(17)14-19/h2-11,14-15H,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyBFNORFOWRRNYKL-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589785
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]naphthalene-2-carboxamide
CID 2472244
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
2,2-dimethyl-N-[3-(1-naphthalen-2-ylethylamino)-3-oxopropyl]propanamide
CID 18155146
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
CID 60577844
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 97247817

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 43056250) is N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide is CC(NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is BFNORFOWRRNYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-15(16-8-10-20(23)11-9-16)25-21(26)12-13-24-22(27)19-7-6-17-4-2-3-5-18(17)14-19/h2-11,14-15H,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 43056250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).