N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide

C14H20FNO — CID 142309067

IUPACN-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide
SMILESCC(C)C1=CC=C(C(=O)N(C)CCF)CC=C1
InChIInChI=1S/C14H20FNO/c1-11(2)12-5-4-6-13(8-7-12)14(17)16(3)10-9-15/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyZMOOGECLGDLTMY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.88
Rot. Bonds4

About N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide

N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide (PubChem CID 142309067) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide
PubChem CID142309067
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide
SMILESCC(C)C1=CC=C(C(=O)N(C)CCF)CC=C1
InChIInChI=1S/C14H20FNO/c1-11(2)12-5-4-6-13(8-7-12)14(17)16(3)10-9-15/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyZMOOGECLGDLTMY-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
4-(2-fluoropent-4-en-2-yl)-1,3-dimethyl-2H-azepin-7-one
CID 91011503
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
CID 126663067
5-Fluoro-1-methyl-3-propan-2-ylpyridin-2-one
CID 129075338
Azepan-1-yl-(6-fluoro-2-methylcyclohepta-1,3,5-trien-1-yl)methanone
CID 129084388
(E)-1-[4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]piperidin-1-yl]but-2-en-1-one
CID 130216716
4-fluoro-6-methyl-N,N-dipropylcyclohexa-2,4-diene-1-carboxamide
CID 130394049
1-[4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-1-one
CID 142161962
N-(2-fluoroethyl)-N-methyl-5-propan-2-ylcyclohepta-1,4,6-triene-1-carboxamide
CID 142308885
(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
CID 142308954

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide (CID 142309067) is N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide is CC(C)C1=CC=C(C(=O)N(C)CCF)CC=C1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide?
The InChIKey is ZMOOGECLGDLTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(2)12-5-4-6-13(8-7-12)14(17)16(3)10-9-15/h4-5,7-8,11H,6,9-10H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide?
N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 142309067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).