1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid

C19H18FNO3 — CID 70557329

IUPAC1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)Cc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3/c1-19(18(23)24)10-11-21(19)17(22)12-13-2-4-14(5-3-13)15-6-8-16(20)9-7-15/h2-9H,10-12H2,1H3,(H,23,24)
InChIKeyLADKJGSUTWRPDY-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid

1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid (PubChem CID 70557329) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
PubChem CID70557329
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)Cc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3/c1-19(18(23)24)10-11-21(19)17(22)12-13-2-4-14(5-3-13)15-6-8-16(20)9-7-15/h2-9H,10-12H2,1H3,(H,23,24)
InChIKeyLADKJGSUTWRPDY-UHFFFAOYSA-N
XLogP3.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70559021
CID 70559021
CID 56642675
CID 56642675
CID 56642676
CID 56642676
CID 56640853
CID 56640853
CID 56640854
CID 56640854
CID 56640983
CID 56640983
CID 56642677
CID 56642677
CID 56642803
CID 56642803
CID 56642807
CID 56642807
CID 56642809
CID 56642809
CID 46948141
CID 46948141
CID 17585410
CID 17585410

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid (CID 70557329) is 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid is CC1(C(=O)O)CCN1C(=O)Cc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
The InChIKey is LADKJGSUTWRPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-19(18(23)24)10-11-21(19)17(22)12-13-2-4-14(5-3-13)15-6-8-16(20)9-7-15/h2-9H,10-12H2,1H3,(H,23,24).
What are the key properties of 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 70557329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).