(2S)-2-anilino-2-(4-chlorophenyl)acetate

C14H11ClNO2- — CID 7148177

IUPAC(2S)-2-anilino-2-(4-chlorophenyl)acetate
SMILESO=C([O-])[C@@H](Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-11-8-6-10(7-9-11)13(14(17)18)16-12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/p-1/t13-/m0/s1
InChIKeyLTERWCBGUKUIRZ-ZDUSSCGKSA-M
MW260.70 g/mol
LogP2.24
Rot. Bonds4

About (2S)-2-anilino-2-(4-chlorophenyl)acetate

(2S)-2-anilino-2-(4-chlorophenyl)acetate (PubChem CID 7148177) has the molecular formula C14H11ClNO2- and a molecular weight of 260.70 g/mol. Its IUPAC name is (2S)-2-anilino-2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(2S)-2-anilino-2-(4-chlorophenyl)acetate
PubChem CID7148177
Molecular FormulaC14H11ClNO2-
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name(2S)-2-anilino-2-(4-chlorophenyl)acetate
SMILESO=C([O-])[C@@H](Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-11-8-6-10(7-9-11)13(14(17)18)16-12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/p-1/t13-/m0/s1
InChIKeyLTERWCBGUKUIRZ-ZDUSSCGKSA-M
XLogP2.24
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-2-phenylacetate
CID 6993805
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
CID 7148181
(2R)-2-(3-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152560
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
(2R)-2-(4-chloroanilino)propanoate
CID 7152546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-2-(4-chlorophenyl)acetate?
The IUPAC name of (2S)-2-anilino-2-(4-chlorophenyl)acetate (CID 7148177) is (2S)-2-anilino-2-(4-chlorophenyl)acetate.
What is the SMILES notation for (2S)-2-anilino-2-(4-chlorophenyl)acetate?
The canonical SMILES for (2S)-2-anilino-2-(4-chlorophenyl)acetate is O=C([O-])[C@@H](Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-anilino-2-(4-chlorophenyl)acetate?
The InChIKey is LTERWCBGUKUIRZ-ZDUSSCGKSA-M. The full InChI is InChI=1S/C14H12ClNO2/c15-11-8-6-10(7-9-11)13(14(17)18)16-12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/p-1/t13-/m0/s1.
What are the key properties of (2S)-2-anilino-2-(4-chlorophenyl)acetate?
(2S)-2-anilino-2-(4-chlorophenyl)acetate has a molecular weight of 260.70 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-2-(4-chlorophenyl)acetate is sourced from PubChem (CID 7148177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).