N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide

C15H21F2NO — CID 143821150

IUPACN-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCC1C=C(F)C=C(F)C1)C1CC1
InChIInChI=1S/C15H21F2NO/c1-2-7-18(14-4-5-14)15(19)6-3-11-8-12(16)10-13(17)9-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyZOHOLCIKNGXGGU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.89
Rot. Bonds6

About N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide

N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide (PubChem CID 143821150) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide
PubChem CID143821150
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCC1C=C(F)C=C(F)C1)C1CC1
InChIInChI=1S/C15H21F2NO/c1-2-7-18(14-4-5-14)15(19)6-3-11-8-12(16)10-13(17)9-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyZOHOLCIKNGXGGU-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97864631
2-[(1S)-3-chloro-5-fluorocyclohex-3-en-1-yl]-N-cyclopropyl-N-propylacetamide
CID 69627133
N-cyclopropyl-3-(3,5-difluorocyclohexen-1-yl)-N-propylpropanamide
CID 70837181
N-cyclopropyl-2-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclohex-3-en-1-yl]-N-propylacetamide
CID 70837189
3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
CID 122647561
(5S,6R)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 132263214
N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide
CID 136500989
N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide
CID 13197542
N-ethyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 78858720
2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78865729
N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 78865893
N-butyl-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 78869449

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide?
The IUPAC name of N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide (CID 143821150) is N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide?
The canonical SMILES for N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide is CCCN(C(=O)CCC1C=C(F)C=C(F)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide?
The InChIKey is ZOHOLCIKNGXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-7-18(14-4-5-14)15(19)6-3-11-8-12(16)10-13(17)9-11/h8,10-11,14H,2-7,9H2,1H3.
What are the key properties of N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide?
N-cyclopropyl-3-(3,5-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide has a molecular weight of 269.33 g/mol, XLogP of 3.89, 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-difluorocyclohexa-2,4-dien-1-yl)-N-propylpropanamide is sourced from PubChem (CID 143821150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).