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

C17H13ClFNO — CID 134946118

IUPACN-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
SMILESO=C(/N=C1\c2ccccc2CC[C@]1(F)Cl)c1ccccc1
InChIInChI=1S/C17H13ClFNO/c18-17(19)11-10-12-6-4-5-9-14(12)15(17)20-16(21)13-7-2-1-3-8-13/h1-9H,10-11H2/b20-15+/t17-/m1/s1
InChIKeyZPHDZCLQGWEZGK-FABDANFUSA-N
MW301.75 g/mol
LogP4.17
Rot. Bonds1

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

N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide (PubChem CID 134946118) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
PubChem CID134946118
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC NameN-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
SMILESO=C(/N=C1\c2ccccc2CC[C@]1(F)Cl)c1ccccc1
InChIInChI=1S/C17H13ClFNO/c18-17(19)11-10-12-6-4-5-9-14(12)15(17)20-16(21)13-7-2-1-3-8-13/h1-9H,10-11H2/b20-15+/t17-/m1/s1
InChIKeyZPHDZCLQGWEZGK-FABDANFUSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)(phenyl)methylene]benzamide
CID 4197856
N-benzhydrylidenebenzamide
CID 282096
Benzamide, N-(1,4-dihydro-2,3-dichloro-4-oxo-1-naphthylidene)-
CID 569498
N-[(2R)-2-benzyl-5-chloro-2-fluoro-3H-inden-1-ylidene]benzamide
CID 60144686
N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
CID 134946116
N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide
CID 134946117
N-[(2S)-2-fluoro-2-phenylcyclohexylidene]benzamide
CID 134946119
(Z)-4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1(4H)-ylidene)benzamide
CID 4111118
Phenanthridin-6(2h)-one
CID 172777064
N-(Diphenylmethylidene)-4-fluorobenzamide
CID 5170955
3-(3-Fluoro-4-phenylphenyl)isoindol-1-one
CID 68512202
3-[4-(trifluoromethyl)phenyl]-4H-isoquinolin-1-one
CID 69179510

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
The IUPAC name of N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide (CID 134946118) is N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide.
What is the SMILES notation for N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
The canonical SMILES for N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide is O=C(/N=C1\c2ccccc2CC[C@]1(F)Cl)c1ccccc1.
What is the InChIKey of N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
The InChIKey is ZPHDZCLQGWEZGK-FABDANFUSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-17(19)11-10-12-6-4-5-9-14(12)15(17)20-16(21)13-7-2-1-3-8-13/h1-9H,10-11H2/b20-15+/t17-/m1/s1.
What are the key properties of N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide?
N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide has a molecular weight of 301.75 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide is sourced from PubChem (CID 134946118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).