1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide

C14H12F6N2O2 — CID 90511911

IUPAC1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H12F6N2O2/c1-7(23)22-5-8(6-22)12(24)21-11-3-9(13(15,16)17)2-10(4-11)14(18,19)20/h2-4,8H,5-6H2,1H3,(H,21,24)
InChIKeyFQVLYDDVQIBHRE-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.14
Rot. Bonds2

About 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide

1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide (PubChem CID 90511911) has the molecular formula C14H12F6N2O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide
PubChem CID90511911
Molecular FormulaC14H12F6N2O2
Molecular Weight354.25 g/mol
Exact Mass354.08
IUPAC Name1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H12F6N2O2/c1-7(23)22-5-8(6-22)12(24)21-11-3-9(13(15,16)17)2-10(4-11)14(18,19)20/h2-4,8H,5-6H2,1H3,(H,21,24)
InChIKeyFQVLYDDVQIBHRE-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513742
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90511941
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073677
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95332752
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 21230150
(2S)-4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30991486
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
1-acetyl-N-(4-nitrophenyl)azetidine-3-carboxamide
CID 90511424
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide (CID 90511911) is 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide?
The InChIKey is FQVLYDDVQIBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O2/c1-7(23)22-5-8(6-22)12(24)21-11-3-9(13(15,16)17)2-10(4-11)14(18,19)20/h2-4,8H,5-6H2,1H3,(H,21,24).
What are the key properties of 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide?
1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 90511911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).