3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide

C14H19F2N3O — CID 23140142

IUPAC3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide
SMILESCCN(CC)C1CN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-3-18(4-2)13-8-19(9-13)14(20)17-12-6-10(15)5-11(16)7-12/h5-7,13H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyDMWHEOISBXCHBY-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.52
Rot. Bonds4

About 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide

3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide (PubChem CID 23140142) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide
PubChem CID23140142
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide
SMILESCCN(CC)C1CN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-3-18(4-2)13-8-19(9-13)14(20)17-12-6-10(15)5-11(16)7-12/h5-7,13H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyDMWHEOISBXCHBY-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7560
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CID 98685
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
1-Ethyl-3-phenylurea
CID 12115
N,N-Diethyl-N'-phenylurea
CID 13906
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
1-Phenylimidazolidin-2-one
CID 255273
3-Ethyl-1,1-diphenylurea
CID 28929
1-Cyclohexyl-1-methyl-3-phenylurea
CID 2813892
N-(2-fluorophenyl)-N'-methylurea
CID 676515

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide (CID 23140142) is 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide is CCN(CC)C1CN(C(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide?
The InChIKey is DMWHEOISBXCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-3-18(4-2)13-8-19(9-13)14(20)17-12-6-10(15)5-11(16)7-12/h5-7,13H,3-4,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide?
3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).