(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide

C15H14ClFN2O2 — CID 97055135

IUPAC(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(N[C@H](C(N)=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O2/c1-8-4-10(17)7-11(5-8)19-14(15(18)21)9-2-3-13(20)12(16)6-9/h2-7,14,19-20H,1H3,(H2,18,21)/t14-/m0/s1
InChIKeyYMYWWIIUBDWKGN-AWEZNQCLSA-N
MW308.74 g/mol
LogP3.13
Rot. Bonds4

About (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide

(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide (PubChem CID 97055135) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide.

Molecular Properties

Compound Name(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
PubChem CID97055135
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(N[C@H](C(N)=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O2/c1-8-4-10(17)7-11(5-8)19-14(15(18)21)9-2-3-13(20)12(16)6-9/h2-7,14,19-20H,1H3,(H2,18,21)/t14-/m0/s1
InChIKeyYMYWWIIUBDWKGN-AWEZNQCLSA-N
XLogP3.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107686167
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
CID 106528880
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 81146886
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The IUPAC name of (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide (CID 97055135) is (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide.
What is the SMILES notation for (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The canonical SMILES for (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide is Cc1cc(F)cc(N[C@H](C(N)=O)c2ccc(O)c(Cl)c2)c1.
What is the InChIKey of (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The InChIKey is YMYWWIIUBDWKGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-8-4-10(17)7-11(5-8)19-14(15(18)21)9-2-3-13(20)12(16)6-9/h2-7,14,19-20H,1H3,(H2,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide?
(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide has a molecular weight of 308.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide is sourced from PubChem (CID 97055135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).