2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid

C16H16ClNO2 — CID 174705607

IUPAC2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
SMILESCc1cc(C)cc(NC(C(=O)O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2/c1-10-6-11(2)8-14(7-10)18-15(16(19)20)12-4-3-5-13(17)9-12/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyDIXZTTTUGZKIKR-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.19
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid

2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid (PubChem CID 174705607) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
PubChem CID174705607
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
SMILESCc1cc(C)cc(NC(C(=O)O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2/c1-10-6-11(2)8-14(7-10)18-15(16(19)20)12-4-3-5-13(17)9-12/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyDIXZTTTUGZKIKR-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid (CID 174705607) is 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid is Cc1cc(C)cc(NC(C(=O)O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
The InChIKey is DIXZTTTUGZKIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-6-11(2)8-14(7-10)18-15(16(19)20)12-4-3-5-13(17)9-12/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid has a molecular weight of 289.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid is sourced from PubChem (CID 174705607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).