2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid

C14H10Cl2FNO2 — CID 60993174

IUPAC2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNO2/c15-11-5-4-8(6-12(11)16)13(14(19)20)18-10-3-1-2-9(17)7-10/h1-7,13,18H,(H,19,20)
InChIKeyYDPOOFQMXATWSJ-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.37
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid

2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid (PubChem CID 60993174) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid
PubChem CID60993174
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNO2/c15-11-5-4-8(6-12(11)16)13(14(19)20)18-10-3-1-2-9(17)7-10/h1-7,13,18H,(H,19,20)
InChIKeyYDPOOFQMXATWSJ-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

Analyze 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
CID 65026525
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
4-(3,4-dichloroanilino)-3-(3-fluoroanilino)-4-oxobutanoic acid
CID 18775024
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid (CID 60993174) is 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid is O=C(O)C(Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid?
The InChIKey is YDPOOFQMXATWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c15-11-5-4-8(6-12(11)16)13(14(19)20)18-10-3-1-2-9(17)7-10/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid?
2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)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-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid is sourced from PubChem (CID 60993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).