2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid

C11H11Cl2NO2 — CID 103233225

IUPAC2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
SMILESO=C(O)C(Nc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C11H11Cl2NO2/c12-7-3-8(13)5-9(4-7)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyISGSXVXHOQPEGP-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.27
Rot. Bonds4

About 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid

2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid (PubChem CID 103233225) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
PubChem CID103233225
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
SMILESO=C(O)C(Nc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C11H11Cl2NO2/c12-7-3-8(13)5-9(4-7)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyISGSXVXHOQPEGP-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
CID 107636575
2-cyclopropyl-2-(3-iodoanilino)acetic acid
CID 103236721
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-cyclopropylacetate
CID 104920850
2-(3-bromo-5-methoxyanilino)-2-cyclopropylacetic acid
CID 103262074
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
2-(3-bromo-4-carbamoylanilino)-2-cyclopropylacetic acid
CID 107275436
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid (CID 103233225) is 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid is O=C(O)C(Nc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid?
The InChIKey is ISGSXVXHOQPEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-7-3-8(13)5-9(4-7)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid?
2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid has a molecular weight of 260.12 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid is sourced from PubChem (CID 103233225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).