ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate

C16H15ClFNO2 — CID 151748910

IUPACethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cc(Cl)cc(F)c2N)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-21-15(20)7-10-3-5-11(6-4-10)13-8-12(17)9-14(18)16(13)19/h3-6,8-9H,2,7,19H2,1H3
InChIKeyROCLHFSUEZTYIQ-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.83
Rot. Bonds4

About ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate

ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate (PubChem CID 151748910) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate
PubChem CID151748910
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Nameethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cc(Cl)cc(F)c2N)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-21-15(20)7-10-3-5-11(6-4-10)13-8-12(17)9-14(18)16(13)19/h3-6,8-9H,2,7,19H2,1H3
InChIKeyROCLHFSUEZTYIQ-UHFFFAOYSA-N
XLogP3.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetate
CID 101780191
Ethyl 2-(2-amino-3-chlorophenyl)-2,2-difluoroacetate
CID 140207180
Ethyl 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 140207181
Ethyl 2-(2-amino-5-chloro-4-methylphenyl)-2,2-difluoroacetate
CID 140207187
Ethyl 2-(2-amino-5-chloro-3-methylphenyl)-2,2-difluoroacetate
CID 140207208
Ethyl 2-(2-amino-5-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207212
Ethyl 2-(4-amino-5-chloro-2-fluorophenyl)butanoate
CID 141053654
Ethyl 3-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]propanoate
CID 156767959
Ethyl 2-[5-amino-2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 164549743
3-[4-(2-Amino-5-chloro-3-fluorophenyl)phenyl]propanoic acid
CID 175132631
2-[2-Amino-5-chloro-3-(2-fluorophenyl)phenyl]acetic acid
CID 70526996
(3-Chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate
CID 102858195

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate (CID 151748910) is ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate is CCOC(=O)Cc1ccc(-c2cc(Cl)cc(F)c2N)cc1.
What is the InChIKey of ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate?
The InChIKey is ROCLHFSUEZTYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-21-15(20)7-10-3-5-11(6-4-10)13-8-12(17)9-14(18)16(13)19/h3-6,8-9H,2,7,19H2,1H3.
What are the key properties of ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate?
ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate has a molecular weight of 307.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-amino-5-chloro-3-fluorophenyl)phenyl]acetate is sourced from PubChem (CID 151748910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).