N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide

C20H19F3N2O — CID 7438153

IUPACN-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@H]2C[C@H]1[C@H](C(F)(F)F)C2)c1cccc2ccccc12
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)18-10-12-8-14(17(18)9-12)11-24-25-19(26)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,11-12,14,17-18H,8-10H2,(H,25,26)/b24-11-/t12-,14-,17+,18+/m0/s1
InChIKeyGOTBAYUOSRIHTK-NRVJYBODSA-N
MW360.38 g/mol
LogP4.78
Rot. Bonds3

About N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide

N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide (PubChem CID 7438153) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
PubChem CID7438153
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@H]2C[C@H]1[C@H](C(F)(F)F)C2)c1cccc2ccccc12
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)18-10-12-8-14(17(18)9-12)11-24-25-19(26)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,11-12,14,17-18H,8-10H2,(H,25,26)/b24-11-/t12-,14-,17+,18+/m0/s1
InChIKeyGOTBAYUOSRIHTK-NRVJYBODSA-N
XLogP4.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.78
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-[(Z)-[(1S,2S,4S,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 98098081
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 129439089
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
CID 6545059
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide
CID 1070609
N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 6873692

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide (CID 7438153) is N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide is O=C(N/N=C\[C@@H]1C[C@H]2C[C@H]1[C@H](C(F)(F)F)C2)c1cccc2ccccc12.
What is the InChIKey of N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
The InChIKey is GOTBAYUOSRIHTK-NRVJYBODSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-20(22,23)18-10-12-8-14(17(18)9-12)11-24-25-19(26)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,11-12,14,17-18H,8-10H2,(H,25,26)/b24-11-/t12-,14-,17+,18+/m0/s1.
What are the key properties of N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 7438153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).