(2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid

C18H14ClF2NO3 — CID 160684664

IUPAC(2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)Cc1cc(Cl)ccc1-c1cccc(F)c1F
InChIInChI=1S/C18H14ClF2NO3/c19-11-4-5-12(13-2-1-3-14(20)17(13)21)10(8-11)9-16(23)22-7-6-15(22)18(24)25/h1-5,8,15H,6-7,9H2,(H,24,25)/t15-/m1/s1
InChIKeyROPHPBAEIZQVQE-OAHLLOKOSA-N
MW365.76 g/mol
LogP3.51
Rot. Bonds4

About (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid

(2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid (PubChem CID 160684664) has the molecular formula C18H14ClF2NO3 and a molecular weight of 365.76 g/mol. Its IUPAC name is (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid
PubChem CID160684664
Molecular FormulaC18H14ClF2NO3
Molecular Weight365.76 g/mol
Exact Mass365.06
IUPAC Name(2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1C(=O)Cc1cc(Cl)ccc1-c1cccc(F)c1F
InChIInChI=1S/C18H14ClF2NO3/c19-11-4-5-12(13-2-1-3-14(20)17(13)21)10(8-11)9-16(23)22-7-6-15(22)18(24)25/h1-5,8,15H,6-7,9H2,(H,24,25)/t15-/m1/s1
InChIKeyROPHPBAEIZQVQE-OAHLLOKOSA-N
XLogP3.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
1-[[5-chloro-2-(3-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90460539
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
1-[2-(3-chlorophenyl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114426986
(2R)-1-[[5-chloro-2-(3,5-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86288007
1-[[5-chloro-2-(3,5-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90459396
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
1-[4-[6-chloro-4-(dimethylamino)quinazolin-2-yl]-3-fluorobenzoyl]azetidine-2-carboxylic acid
CID 59212863
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid (CID 160684664) is (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid is O=C(O)[C@H]1CCN1C(=O)Cc1cc(Cl)ccc1-c1cccc(F)c1F.
What is the InChIKey of (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid?
The InChIKey is ROPHPBAEIZQVQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14ClF2NO3/c19-11-4-5-12(13-2-1-3-14(20)17(13)21)10(8-11)9-16(23)22-7-6-15(22)18(24)25/h1-5,8,15H,6-7,9H2,(H,24,25)/t15-/m1/s1.
What are the key properties of (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid?
(2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid has a molecular weight of 365.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[5-chloro-2-(2,3-difluorophenyl)phenyl]acetyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 160684664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).