(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate

C15H13ClNO2- — CID 7152564

IUPAC(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
SMILESCc1ccc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1
InChIInChI=1S/C15H14ClNO2/c1-10-2-4-11(5-3-10)14(15(18)19)17-13-8-6-12(16)7-9-13/h2-9,14,17H,1H3,(H,18,19)/p-1/t14-/m1/s1
InChIKeyHAMPMIBSIPZPDV-CQSZACIVSA-M
MW274.73 g/mol
LogP2.55
Rot. Bonds4

About (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate

(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate (PubChem CID 7152564) has the molecular formula C15H13ClNO2- and a molecular weight of 274.73 g/mol. Its IUPAC name is (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
PubChem CID7152564
Molecular FormulaC15H13ClNO2-
Molecular Weight274.73 g/mol
Exact Mass274.06
IUPAC Name(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
SMILESCc1ccc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1
InChIInChI=1S/C15H14ClNO2/c1-10-2-4-11(5-3-10)14(15(18)19)17-13-8-6-12(16)7-9-13/h2-9,14,17H,1H3,(H,18,19)/p-1/t14-/m1/s1
InChIKeyHAMPMIBSIPZPDV-CQSZACIVSA-M
XLogP2.55
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177
(2R)-2-(3-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152560
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
CID 7148181
(2R)-2-(4-chloroanilino)propanoate
CID 7152546
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
CID 54890022
(2S)-2-anilino-2-phenylacetate
CID 6993805
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate?
The IUPAC name of (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate (CID 7152564) is (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate.
What is the SMILES notation for (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate?
The canonical SMILES for (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate is Cc1ccc([C@@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate?
The InChIKey is HAMPMIBSIPZPDV-CQSZACIVSA-M. The full InChI is InChI=1S/C15H14ClNO2/c1-10-2-4-11(5-3-10)14(15(18)19)17-13-8-6-12(16)7-9-13/h2-9,14,17H,1H3,(H,18,19)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate?
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate has a molecular weight of 274.73 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 7152564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).