N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide

C24H20FNO — CID 134946116

IUPACN-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
SMILESO=C(/N=C1\c2ccccc2CC[C@]1(F)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FNO/c25-24(17-18-9-3-1-4-10-18)16-15-19-11-7-8-14-21(19)22(24)26-23(27)20-12-5-2-6-13-20/h1-14H,15-17H2/b26-22+/t24-/m0/s1
InChIKeyCWAPNATZPIONLB-AVQAENAPSA-N
MW357.43 g/mol
LogP5.21
Rot. Bonds3

About N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide

N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide (PubChem CID 134946116) has the molecular formula C24H20FNO and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
PubChem CID134946116
Molecular FormulaC24H20FNO
Molecular Weight357.43 g/mol
Exact Mass357.15
IUPAC NameN-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
SMILESO=C(/N=C1\c2ccccc2CC[C@]1(F)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FNO/c25-24(17-18-9-3-1-4-10-18)16-15-19-11-7-8-14-21(19)22(24)26-23(27)20-12-5-2-6-13-20/h1-14H,15-17H2/b26-22+/t24-/m0/s1
InChIKeyCWAPNATZPIONLB-AVQAENAPSA-N
XLogP5.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.21
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

2,3-Dihydro-1-aza-benzo[de]anthracen-7-one
CID 636991
N-[(2-methylphenyl)(phenyl)methylene]benzamide
CID 4197856
10-(Phenylimino)-9(10H)-anthracenone
CID 13061002
N-benzhydrylidenebenzamide
CID 282096
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide
CID 15711006
N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide
CID 134946117
N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
CID 134946118
N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
CID 134946119
N-(diphenylmethylene)-[1,1'-biphenyl]-4-carboxamide
CID 3890685
(3,3-Diphenylisoindol-1-yl)-phenylmethanone
CID 10090738
(3,3-Diphenylisoindol-1-yl)-(4-methylphenyl)methanone
CID 10385547
3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4(1H)-one
CID 13525903

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
The IUPAC name of N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide (CID 134946116) is N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide.
What is the SMILES notation for N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
The canonical SMILES for N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide is O=C(/N=C1\c2ccccc2CC[C@]1(F)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
The InChIKey is CWAPNATZPIONLB-AVQAENAPSA-N. The full InChI is InChI=1S/C24H20FNO/c25-24(17-18-9-3-1-4-10-18)16-15-19-11-7-8-14-21(19)22(24)26-23(27)20-12-5-2-6-13-20/h1-14H,15-17H2/b26-22+/t24-/m0/s1.
What are the key properties of N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide has a molecular weight of 357.43 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide is sourced from PubChem (CID 134946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).