2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

C18H25FN2O — CID 579792

IUPAC2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O/c1-4-18(2,3)13-9-11-14(12-10-13)20-21-17(22)15-7-5-6-8-16(15)19/h5-8,13H,4,9-12H2,1-3H3,(H,21,22)/b20-14-
InChIKeyFPPWMFORSCBHGD-ZHZULCJRSA-N
MW304.41 g/mol
LogP4.54
Rot. Bonds4

About 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (PubChem CID 579792) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
PubChem CID579792
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O/c1-4-18(2,3)13-9-11-14(12-10-13)20-21-17(22)15-7-5-6-8-16(15)19/h5-8,13H,4,9-12H2,1-3H3,(H,21,22)/b20-14-
InChIKeyFPPWMFORSCBHGD-ZHZULCJRSA-N
XLogP4.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4556862
methyl N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]carbamate
CID 4650730
3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9463217
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-fluorobenzamide
CID 9235678
2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 5109033
2-fluoro-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 7529998
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The IUPAC name of 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (CID 579792) is 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The canonical SMILES for 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The InChIKey is FPPWMFORSCBHGD-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-4-18(2,3)13-9-11-14(12-10-13)20-21-17(22)15-7-5-6-8-16(15)19/h5-8,13H,4,9-12H2,1-3H3,(H,21,22)/b20-14-.
What are the key properties of 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide has a molecular weight of 304.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is sourced from PubChem (CID 579792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).