3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide

C10H19FN2O — CID 126782280

IUPAC3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)4-8(3)12-10(14)13-5-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyXZJNNJBCZIWKAC-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.78
Rot. Bonds3

About 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide

3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide (PubChem CID 126782280) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
PubChem CID126782280
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)4-8(3)12-10(14)13-5-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyXZJNNJBCZIWKAC-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Difluorocyclobutyl)-1-methyl-3-(4-methylpentyl)urea
CID 153623506
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
N-(2,2-difluorocyclopropyl)-3-propan-2-ylazetidine-1-carboxamide
CID 170220583
1-(3-Amino-4-methylpentyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 113463044
1-Methyl-1-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115583972
1-[1-(Dimethylamino)-4-methylpentan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 115583975
1-(2-Methylpentan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115591400
1-(4-Methylpentan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115758260
3-amino-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013605
1-[(3-Aminocyclobutyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 116013609
N-cyclopentyl-3-(fluoromethyl)azetidine-1-carboxamide
CID 121185052

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide (CID 126782280) is 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide is CC(C)CC(C)NC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
The InChIKey is XZJNNJBCZIWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-7(2)4-8(3)12-10(14)13-5-9(11)6-13/h7-9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide?
3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126782280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).