1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide

C13H15FN2O2 — CID 90511941

IUPAC1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2ccc(C)c(F)c2)C1
InChIInChI=1S/C13H15FN2O2/c1-8-3-4-11(5-12(8)14)15-13(18)10-6-16(7-10)9(2)17/h3-5,10H,6-7H2,1-2H3,(H,15,18)
InChIKeyBNJBOOWISMEUNQ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.55
Rot. Bonds2

About 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide

1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide (PubChem CID 90511941) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
PubChem CID90511941
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2ccc(C)c(F)c2)C1
InChIInChI=1S/C13H15FN2O2/c1-8-3-4-11(5-12(8)14)15-13(18)10-6-16(7-10)9(2)17/h3-5,10H,6-7H2,1-2H3,(H,15,18)
InChIKeyBNJBOOWISMEUNQ-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
1-(1,3-benzodioxole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90512866
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
(3aS,7aR)-N-(3-fluoro-4-methylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 72872228
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90511911
1-acetyl-N-(4-nitrophenyl)azetidine-3-carboxamide
CID 90511424
4-acetyl-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 17398554
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528847

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide (CID 90511941) is 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)Nc2ccc(C)c(F)c2)C1.
What is the InChIKey of 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
The InChIKey is BNJBOOWISMEUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-3-4-11(5-12(8)14)15-13(18)10-6-16(7-10)9(2)17/h3-5,10H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.55, 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-fluoro-4-methylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).