ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate

C14H18ClF3N2O2 — CID 162612299

IUPACethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate
SMILESCCOC(=O)[C@@H](CCCN)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O2/c1-2-22-13(21)12(4-3-5-19)20-11-7-9(14(16,17)18)6-10(15)8-11/h6-8,12,20H,2-5,19H2,1H3/t12-/m1/s1
InChIKeyAOZOYVHNTCLWGX-GFCCVEGCSA-N
MW338.76 g/mol
LogP3.44
Rot. Bonds7

About ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate

ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate (PubChem CID 162612299) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate
PubChem CID162612299
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC Nameethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate
SMILESCCOC(=O)[C@@H](CCCN)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O2/c1-2-22-13(21)12(4-3-5-19)20-11-7-9(14(16,17)18)6-10(15)8-11/h6-8,12,20H,2-5,19H2,1H3/t12-/m1/s1
InChIKeyAOZOYVHNTCLWGX-GFCCVEGCSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)anilino]-3-methoxypropanoic acid
CID 103268224
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine
CID 116699186
7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
CID 116699799
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylpentane-1,2-diamine
CID 116699247
(2S)-5-amino-2-[3-(trifluoromethyl)anilino]pentanamide
CID 66859861
ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoate
CID 170885231
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-cyclopropylacetate
CID 104920850
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
ethyl 3-chloro-5-(trifluoromethyl)benzoate
CID 46311318
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate?
The IUPAC name of ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate (CID 162612299) is ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate.
What is the SMILES notation for ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate?
The canonical SMILES for ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate is CCOC(=O)[C@@H](CCCN)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate?
The InChIKey is AOZOYVHNTCLWGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClF3N2O2/c1-2-22-13(21)12(4-3-5-19)20-11-7-9(14(16,17)18)6-10(15)8-11/h6-8,12,20H,2-5,19H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate?
ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate has a molecular weight of 338.76 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate is sourced from PubChem (CID 162612299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).