2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid

C14H10Cl2FNO2 — CID 114488151

IUPAC2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Cl)c1)c1cccc(Cl)c1F
InChIInChI=1S/C14H10Cl2FNO2/c15-8-3-1-4-9(7-8)18-13(14(19)20)10-5-2-6-11(16)12(10)17/h1-7,13,18H,(H,19,20)
InChIKeyYQRRSAUHQUAJMJ-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.37
Rot. Bonds4

About 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid

2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid (PubChem CID 114488151) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid
PubChem CID114488151
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Cl)c1)c1cccc(Cl)c1F
InChIInChI=1S/C14H10Cl2FNO2/c15-8-3-1-4-9(7-8)18-13(14(19)20)10-5-2-6-11(16)12(10)17/h1-7,13,18H,(H,19,20)
InChIKeyYQRRSAUHQUAJMJ-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(3-chloro-2-fluorophenyl)acetamide
CID 114488080
2-(3-chloroanilino)-2-(2,3-difluorophenyl)acetamide
CID 63667747
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(3-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
CID 61006415
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
CID 79970774
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid
CID 60993174

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid (CID 114488151) is 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid is O=C(O)C(Nc1cccc(Cl)c1)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid?
The InChIKey is YQRRSAUHQUAJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c15-8-3-1-4-9(7-8)18-13(14(19)20)10-5-2-6-11(16)12(10)17/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid?
2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid has a molecular weight of 314.14 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 114488151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).