(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid

C16H16ClNO2 — CID 7148164

IUPAC(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
SMILESCc1cc(C)cc(N[C@@H](C(=O)O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-10-7-11(2)9-14(8-10)18-15(16(19)20)12-3-5-13(17)6-4-12/h3-9,15,18H,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyMYWIZAKXPKGZOO-OAHLLOKOSA-N
MW289.76 g/mol
LogP4.19
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid

(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid (PubChem CID 7148164) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
PubChem CID7148164
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
SMILESCc1cc(C)cc(N[C@@H](C(=O)O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-10-7-11(2)9-14(8-10)18-15(16(19)20)12-3-5-13(17)6-4-12/h3-9,15,18H,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyMYWIZAKXPKGZOO-OAHLLOKOSA-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

2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564
2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
CID 54890022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid (CID 7148164) is (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid is Cc1cc(C)cc(N[C@@H](C(=O)O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
The InChIKey is MYWIZAKXPKGZOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-7-11(2)9-14(8-10)18-15(16(19)20)12-3-5-13(17)6-4-12/h3-9,15,18H,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid?
(2R)-2-(4-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 (2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid is sourced from PubChem (CID 7148164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).