N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide

C7H13FN2O — CID 127000099

IUPACN-ethyl-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(C)(F)C1
InChIInChI=1S/C7H13FN2O/c1-3-9-6(11)10-4-7(2,8)5-10/h3-5H2,1-2H3,(H,9,11)
InChIKeySSNWKJBDRCGUCB-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.76
Rot. Bonds1

About N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide

N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide (PubChem CID 127000099) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-3-methylazetidine-1-carboxamide
PubChem CID127000099
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC NameN-ethyl-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(C)(F)C1
InChIInChI=1S/C7H13FN2O/c1-3-9-6(11)10-4-7(2,8)5-10/h3-5H2,1-2H3,(H,9,11)
InChIKeySSNWKJBDRCGUCB-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide (CID 127000099) is N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide is CCNC(=O)N1CC(C)(F)C1.
What is the InChIKey of N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide?
The InChIKey is SSNWKJBDRCGUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-3-9-6(11)10-4-7(2,8)5-10/h3-5H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide?
N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide has a molecular weight of 160.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 127000099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).