2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid

C15H13ClFNO2 — CID 114843653

IUPAC2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NC(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H13ClFNO2/c1-9-4-2-3-5-13(9)18-14(15(19)20)11-8-10(16)6-7-12(11)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyRDCDZPCSIDSNFW-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.03
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid

2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid (PubChem CID 114843653) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
PubChem CID114843653
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NC(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H13ClFNO2/c1-9-4-2-3-5-13(9)18-14(15(19)20)11-8-10(16)6-7-12(11)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyRDCDZPCSIDSNFW-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
2-(5-chloro-2-fluorophenyl)-2-(2-fluoroanilino)acetamide
CID 114843546
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-(5-chloro-2-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 114843540
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
CID 7148181
2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
CID 60991251
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid (CID 114843653) is 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid is Cc1ccccc1NC(C(=O)O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid?
The InChIKey is RDCDZPCSIDSNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-4-2-3-5-13(9)18-14(15(19)20)11-8-10(16)6-7-12(11)17/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid?
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid has a molecular weight of 293.72 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid is sourced from PubChem (CID 114843653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).