N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide

C26H27FN2O2 — CID 172661171

IUPACN,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2cccc3cc(C(=O)N4CC[C@@H](F)C4)ccc23)c1
InChIInChI=1S/C26H27FN2O2/c1-3-28(4-2)25(30)20-9-5-7-18(15-20)23-10-6-8-19-16-21(11-12-24(19)23)26(31)29-14-13-22(27)17-29/h5-12,15-16,22H,3-4,13-14,17H2,1-2H3/t22-/m1/s1
InChIKeyUCFDBWFMCKGKJZ-JOCHJYFZSA-N
MW418.51 g/mol
LogP5.17
Rot. Bonds5

About N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide

N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide (PubChem CID 172661171) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide
PubChem CID172661171
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC NameN,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2cccc3cc(C(=O)N4CC[C@@H](F)C4)ccc23)c1
InChIInChI=1S/C26H27FN2O2/c1-3-28(4-2)25(30)20-9-5-7-18(15-20)23-10-6-8-19-16-21(11-12-24(19)23)26(31)29-14-13-22(27)17-29/h5-12,15-16,22H,3-4,13-14,17H2,1-2H3/t22-/m1/s1
InChIKeyUCFDBWFMCKGKJZ-JOCHJYFZSA-N
XLogP5.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]-4-[6-(3-fluoropiperidine-1-carbonyl)naphthalen-1-yl]benzaldehyde
CID 155042075
5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide
CID 172661154
5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride
CID 172912613
N,N-diethyl-5-hydroxynaphthalene-2-carboxamide
CID 172677597
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-methoxypyrimidin-5-yl)naphthalen-2-yl]methanone
CID 172662609
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone
CID 175645819
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one
CID 154667398
2-fluoro-3-[6-[3-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]naphthalen-1-yl]benzoic acid
CID 175643836
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide?
The IUPAC name of N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide (CID 172661171) is N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide.
What is the SMILES notation for N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide?
The canonical SMILES for N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide is CCN(CC)C(=O)c1cccc(-c2cccc3cc(C(=O)N4CC[C@@H](F)C4)ccc23)c1.
What is the InChIKey of N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide?
The InChIKey is UCFDBWFMCKGKJZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-3-28(4-2)25(30)20-9-5-7-18(15-20)23-10-6-8-19-16-21(11-12-24(19)23)26(31)29-14-13-22(27)17-29/h5-12,15-16,22H,3-4,13-14,17H2,1-2H3/t22-/m1/s1.
What are the key properties of N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide?
N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide has a molecular weight of 418.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide is sourced from PubChem (CID 172661171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).