N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide

C16H15F6NO — CID 59888732

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide
SMILESC=C1CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H15F6NO/c1-9-2-3-11(4-9)14(24)23-8-10-5-12(15(17,18)19)7-13(6-10)16(20,21)22/h5-7,11H,1-4,8H2,(H,23,24)
InChIKeyAMKNXQRDXGRYAT-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.70
Rot. Bonds3

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide (PubChem CID 59888732) has the molecular formula C16H15F6NO and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide
PubChem CID59888732
Molecular FormulaC16H15F6NO
Molecular Weight351.29 g/mol
Exact Mass351.11
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide
SMILESC=C1CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H15F6NO/c1-9-2-3-11(4-9)14(24)23-8-10-5-12(15(17,18)19)7-13(6-10)16(20,21)22/h5-7,11H,1-4,8H2,(H,23,24)
InChIKeyAMKNXQRDXGRYAT-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;cis-(1S,3R)-3-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;propane
CID 143080625
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 142976792
acetylene;cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide;propane
CID 142976775
(3S)-N-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018032
cis-(1S,3S)-3-[(4-benzylidenecyclohexyl)methyl]-N-[[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 159948286
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 136585263
(3S)-N-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methyl]-3-fluorocyclopentane-1-carboxamide
CID 118342893
N-[[3-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentanecarboxamide
CID 129157432
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 166182708
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyanoacetamide
CID 87974393

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide (CID 59888732) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide is C=C1CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide?
The InChIKey is AMKNXQRDXGRYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6NO/c1-9-2-3-11(4-9)14(24)23-8-10-5-12(15(17,18)19)7-13(6-10)16(20,21)22/h5-7,11H,1-4,8H2,(H,23,24).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide is sourced from PubChem (CID 59888732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).