1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid

C19H18ClNO3 — CID 70558650

IUPAC1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H18ClNO3/c1-19(18(23)24)9-10-21(19)17(22)11-13-5-7-14(8-6-13)15-3-2-4-16(20)12-15/h2-8,12H,9-11H2,1H3,(H,23,24)
InChIKeyWOMLODANSXGPCQ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid

1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid (PubChem CID 70558650) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
PubChem CID70558650
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H18ClNO3/c1-19(18(23)24)9-10-21(19)17(22)11-13-5-7-14(8-6-13)15-3-2-4-16(20)12-15/h2-8,12H,9-11H2,1H3,(H,23,24)
InChIKeyWOMLODANSXGPCQ-UHFFFAOYSA-N
XLogP3.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70556496
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CID 70557757
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CID 54580309
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CID 46948141
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CID 70557329
CID 70557329
CID 117753441
CID 117753441
CID 157807411
CID 157807411
CID 159562983
CID 159562983
CID 160415646
CID 160415646
CID 160684664
CID 160684664
CID 161705407
CID 161705407
CID 70558273
CID 70558273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid (CID 70558650) is 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid is CC1(C(=O)O)CCN1C(=O)Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
The InChIKey is WOMLODANSXGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-19(18(23)24)9-10-21(19)17(22)11-13-5-7-14(8-6-13)15-3-2-4-16(20)12-15/h2-8,12H,9-11H2,1H3,(H,23,24).
What are the key properties of 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid?
1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid has a molecular weight of 343.81 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 70558650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).