4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide

C18H18FN3O2 — CID 124754680

IUPAC4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-5-1-12(2-6-14)16-9-10-22(16)11-17(23)21-15-7-3-13(4-8-15)18(20)24/h1-8,16H,9-11H2,(H2,20,24)(H,21,23)/t16-/m1/s1
InChIKeyOPJQKWVIUAIGTP-MRXNPFEDSA-N
MW327.36 g/mol
LogP2.31
Rot. Bonds5

About 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide

4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide (PubChem CID 124754680) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide
PubChem CID124754680
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-5-1-12(2-6-14)16-9-10-22(16)11-17(23)21-15-7-3-13(4-8-15)18(20)24/h1-8,16H,9-11H2,(H2,20,24)(H,21,23)/t16-/m1/s1
InChIKeyOPJQKWVIUAIGTP-MRXNPFEDSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide 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-[[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 42888088
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55530071
4-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]benzamide
CID 11940672
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
N-(4-fluorophenyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546400
N-(4-bromophenyl)-2-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]acetamide
CID 95786078

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide (CID 124754680) is 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide?
The InChIKey is OPJQKWVIUAIGTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-5-1-12(2-6-14)16-9-10-22(16)11-17(23)21-15-7-3-13(4-8-15)18(20)24/h1-8,16H,9-11H2,(H2,20,24)(H,21,23)/t16-/m1/s1.
What are the key properties of 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide?
4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide has a molecular weight of 327.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 124754680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).