N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide

C15H19F3N2O — CID 62810286

IUPACN-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
SMILESO=C(CNc1cc(F)c(F)c(F)c1)NC1CCCCCC1
InChIInChI=1S/C15H19F3N2O/c16-12-7-11(8-13(17)15(12)18)19-9-14(21)20-10-5-3-1-2-4-6-10/h7-8,10,19H,1-6,9H2,(H,20,21)
InChIKeyYNKPBOUUBNRCDO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.35
Rot. Bonds4

About N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide

N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide (PubChem CID 62810286) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
PubChem CID62810286
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
SMILESO=C(CNc1cc(F)c(F)c(F)c1)NC1CCCCCC1
InChIInChI=1S/C15H19F3N2O/c16-12-7-11(8-13(17)15(12)18)19-9-14(21)20-10-5-3-1-2-4-6-10/h7-8,10,19H,1-6,9H2,(H,20,21)
InChIKeyYNKPBOUUBNRCDO-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
N-cyclohexyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815906
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037
N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide (CID 62810286) is N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide is O=C(CNc1cc(F)c(F)c(F)c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide?
The InChIKey is YNKPBOUUBNRCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-12-7-11(8-13(17)15(12)18)19-9-14(21)20-10-5-3-1-2-4-6-10/h7-8,10,19H,1-6,9H2,(H,20,21).
What are the key properties of N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide?
N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide is sourced from PubChem (CID 62810286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).