N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide

C15H23F2NO — CID 70837181

IUPACN-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCC1=CC(F)CC(F)C1)C1CC1
InChIInChI=1S/C15H23F2NO/c1-2-7-18(14-4-5-14)15(19)6-3-11-8-12(16)10-13(17)9-11/h8,12-14H,2-7,9-10H2,1H3
InChIKeyXHZJBSHKUPKAKE-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.56
Rot. Bonds6

About N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide

N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide (PubChem CID 70837181) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide
PubChem CID70837181
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCC1=CC(F)CC(F)C1)C1CC1
InChIInChI=1S/C15H23F2NO/c1-2-7-18(14-4-5-14)15(19)6-3-11-8-12(16)10-13(17)9-11/h8,12-14H,2-7,9-10H2,1H3
InChIKeyXHZJBSHKUPKAKE-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide?
The IUPAC name of N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide (CID 70837181) is N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide?
The canonical SMILES for N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide is CCCN(C(=O)CCC1=CC(F)CC(F)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide?
The InChIKey is XHZJBSHKUPKAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-2-7-18(14-4-5-14)15(19)6-3-11-8-12(16)10-13(17)9-11/h8,12-14H,2-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide?
N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide has a molecular weight of 271.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide is sourced from PubChem (CID 70837181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).