4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide

C14H22FNO — CID 130394049

IUPAC4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCN(CCC)C(=O)C1C=CC(F)=CC1C
InChIInChI=1S/C14H22FNO/c1-4-8-16(9-5-2)14(17)13-7-6-12(15)10-11(13)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeySXZQMEBBBKXXIN-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.31
Rot. Bonds5

About 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide

4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 130394049) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide
PubChem CID130394049
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCN(CCC)C(=O)C1C=CC(F)=CC1C
InChIInChI=1S/C14H22FNO/c1-4-8-16(9-5-2)14(17)13-7-6-12(15)10-11(13)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeySXZQMEBBBKXXIN-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-2-fluoro-3-methylpent-4-enamide
CID 86259336
(2-Fluorocyclohexa-2,4-dien-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59744090
N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 67747436
(2-Fluorocyclohexa-2,4-dien-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 71051127
5,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,6-dihydro-2H-azepin-7-one
CID 122575868
(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
CID 126663067
4-fluoro-N,N,3-trimethylcyclohexa-2,4-diene-1-carboxamide
CID 139540073
1-[4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-1-one
CID 142161962
(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
CID 142308954
1-[(3E,5E)-6-fluoro-2-methylhepta-3,5-dienyl]pyrrolidin-2-one
CID 142425647
2-ethyl-4-fluoro-1-[3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-2,5-dihydropyrrol-1-yl]butan-1-one
CID 170392260
3-butan-2-yl-6-fluoro-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide
CID 171523066

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide (CID 130394049) is 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide is CCCN(CCC)C(=O)C1C=CC(F)=CC1C.
What is the InChIKey of 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is SXZQMEBBBKXXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-8-16(9-5-2)14(17)13-7-6-12(15)10-11(13)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide?
4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 239.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 130394049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).