3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide

C17H20F3N3O2 — CID 127936791

IUPAC3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide
SMILESO=C(NC1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1)C1CCC1
InChIInChI=1S/C17H20F3N3O2/c18-13-6-10(7-14(19)15(13)20)4-5-21-17(25)23-8-12(9-23)22-16(24)11-2-1-3-11/h6-7,11-12H,1-5,8-9H2,(H,21,25)(H,22,24)
InChIKeyYCNBCAFVUNFMGN-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.96
Rot. Bonds5

About 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide

3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide (PubChem CID 127936791) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide
PubChem CID127936791
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide
SMILESO=C(NC1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1)C1CCC1
InChIInChI=1S/C17H20F3N3O2/c18-13-6-10(7-14(19)15(13)20)4-5-21-17(25)23-8-12(9-23)22-16(24)11-2-1-3-11/h6-7,11-12H,1-5,8-9H2,(H,21,25)(H,22,24)
InChIKeyYCNBCAFVUNFMGN-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-hydroxy-1-oxo-1-[2-(3,4,5-trifluorophenyl)ethylamino]butan-2-yl]cyclopropanecarboxamide
CID 110026638
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CID 146131747
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024755
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000671
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
CID 119168864
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
CID 110023964
3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
CID 154754274

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide (CID 127936791) is 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide is O=C(NC1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1)C1CCC1.
What is the InChIKey of 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide?
The InChIKey is YCNBCAFVUNFMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-13-6-10(7-14(19)15(13)20)4-5-21-17(25)23-8-12(9-23)22-16(24)11-2-1-3-11/h6-7,11-12H,1-5,8-9H2,(H,21,25)(H,22,24).
What are the key properties of 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide?
3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutanecarbonylamino)-N-[2-(3,4,5-trifluorophenyl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 127936791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).