N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide

C12H19FN2O — CID 146259448

IUPACN-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)CC1CC=CC=C1F
InChIInChI=1S/C12H19FN2O/c1-3-14-12(16)9-15(2)8-10-6-4-5-7-11(10)13/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,14,16)
InChIKeyWRQRHTQTCPWUTM-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.48
Rot. Bonds5

About N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide

N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide (PubChem CID 146259448) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide
PubChem CID146259448
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)CC1CC=CC=C1F
InChIInChI=1S/C12H19FN2O/c1-3-14-12(16)9-15(2)8-10-6-4-5-7-11(10)13/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,14,16)
InChIKeyWRQRHTQTCPWUTM-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide (CID 146259448) is N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide is CCNC(=O)CN(C)CC1CC=CC=C1F.
What is the InChIKey of N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide?
The InChIKey is WRQRHTQTCPWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-14-12(16)9-15(2)8-10-6-4-5-7-11(10)13/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide?
N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide has a molecular weight of 226.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 146259448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).