N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide

C17H14FNO — CID 134946117

IUPACN-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide
SMILESO=C(/N=C1/c2ccccc2CC[C@H]1F)c1ccccc1
InChIInChI=1S/C17H14FNO/c18-15-11-10-12-6-4-5-9-14(12)16(15)19-17(20)13-7-2-1-3-8-13/h1-9,15H,10-11H2/b19-16-/t15-/m1/s1
InChIKeyGXLUPGKQNJUTCI-YGMPWRRSSA-N
MW267.30 g/mol
LogP3.60
Rot. Bonds1

About N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide

N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide (PubChem CID 134946117) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide
PubChem CID134946117
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC NameN-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide
SMILESO=C(/N=C1/c2ccccc2CC[C@H]1F)c1ccccc1
InChIInChI=1S/C17H14FNO/c18-15-11-10-12-6-4-5-9-14(12)16(15)19-17(20)13-7-2-1-3-8-13/h1-9,15H,10-11H2/b19-16-/t15-/m1/s1
InChIKeyGXLUPGKQNJUTCI-YGMPWRRSSA-N
XLogP3.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)(phenyl)methanone
CID 720205
N-[(2-methylphenyl)(phenyl)methylene]benzamide
CID 4197856
(4E)-4-(phenylimino)naphthalen-1(4H)-one
CID 344314
4-[[2-(trifluoromethyl)phenyl]methyl]-2H-phthalazin-1-one
CID 82371100
4-[(2-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70806890
N-benzhydrylidenebenzamide
CID 282096
Benzamide, N-(1,4-dihydro-2,3-dichloro-4-oxo-1-naphthylidene)-
CID 569498
N-[6-benzoylimino-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]benzamide
CID 101418153
N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
CID 134946116
N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
CID 134946118
N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
CID 134946119
N,N'-(cyclohexa-2,5-diene-1,4-diylidene)di-benzamide
CID 291489

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide?
The IUPAC name of N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide (CID 134946117) is N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide?
The canonical SMILES for N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide is O=C(/N=C1/c2ccccc2CC[C@H]1F)c1ccccc1.
What is the InChIKey of N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide?
The InChIKey is GXLUPGKQNJUTCI-YGMPWRRSSA-N. The full InChI is InChI=1S/C17H14FNO/c18-15-11-10-12-6-4-5-9-14(12)16(15)19-17(20)13-7-2-1-3-8-13/h1-9,15H,10-11H2/b19-16-/t15-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide?
N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide has a molecular weight of 267.30 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide is sourced from PubChem (CID 134946117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).