2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid

C14H11Cl2NO2 — CID 54890414

IUPAC2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-9-5-7-10(8-6-9)17-13(14(18)19)11-3-1-2-4-12(11)16/h1-8,13,17H,(H,18,19)
InChIKeySRXIOUPLQUKFRG-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.23
Rot. Bonds4

About 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid

2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid (PubChem CID 54890414) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
PubChem CID54890414
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-9-5-7-10(8-6-9)17-13(14(18)19)11-3-1-2-4-12(11)16/h1-8,13,17H,(H,18,19)
InChIKeySRXIOUPLQUKFRG-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-(4-chloroanilino)-2-(2-hydroxyphenyl)acetamide
CID 116684903
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488151
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177
2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid
CID 18546331
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid?
The IUPAC name of 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid (CID 54890414) is 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid is O=C(O)C(Nc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid?
The InChIKey is SRXIOUPLQUKFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-9-5-7-10(8-6-9)17-13(14(18)19)11-3-1-2-4-12(11)16/h1-8,13,17H,(H,18,19).
What are the key properties of 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid?
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid has a molecular weight of 296.15 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 54890414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).