(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate

C15H13ClNO2- — CID 7148181

IUPAC(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
SMILESCc1ccccc1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-3-5-13(10)17-14(15(18)19)11-6-8-12(16)9-7-11/h2-9,14,17H,1H3,(H,18,19)/p-1/t14-/m1/s1
InChIKeyLZQMKXDZAKBCSJ-CQSZACIVSA-M
MW274.73 g/mol
LogP2.55
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate

(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate (PubChem CID 7148181) has the molecular formula C15H13ClNO2- and a molecular weight of 274.73 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
PubChem CID7148181
Molecular FormulaC15H13ClNO2-
Molecular Weight274.73 g/mol
Exact Mass274.06
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
SMILESCc1ccccc1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-3-5-13(10)17-14(15(18)19)11-6-8-12(16)9-7-11/h2-9,14,17H,1H3,(H,18,19)/p-1/t14-/m1/s1
InChIKeyLZQMKXDZAKBCSJ-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-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate (CID 7148181) is (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate is Cc1ccccc1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate?
The InChIKey is LZQMKXDZAKBCSJ-CQSZACIVSA-M. The full InChI is InChI=1S/C15H14ClNO2/c1-10-4-2-3-5-13(10)17-14(15(18)19)11-6-8-12(16)9-7-11/h2-9,14,17H,1H3,(H,18,19)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate?
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)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-chlorophenyl)-2-(2-methylanilino)acetate is sourced from PubChem (CID 7148181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).