ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate

C19H19ClFNO2 — CID 146851054

IUPACethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate
SMILESCCOC(=O)CC1(N)C[C@H]1c1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C19H19ClFNO2/c1-2-24-18(23)11-19(22)10-16(19)13-5-3-12(4-6-13)15-9-14(21)7-8-17(15)20/h3-9,16H,2,10-11,22H2,1H3/t16-,19?/m0/s1
InChIKeySIRDKEAXEZITIL-UCFFOFKASA-N
MW347.82 g/mol
LogP4.28
Rot. Bonds5

About ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate

ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate (PubChem CID 146851054) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate
PubChem CID146851054
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Nameethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate
SMILESCCOC(=O)CC1(N)C[C@H]1c1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C19H19ClFNO2/c1-2-24-18(23)11-19(22)10-16(19)13-5-3-12(4-6-13)15-9-14(21)7-8-17(15)20/h3-9,16H,2,10-11,22H2,1H3/t16-,19?/m0/s1
InChIKeySIRDKEAXEZITIL-UCFFOFKASA-N
XLogP4.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate?
The IUPAC name of ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate (CID 146851054) is ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate is CCOC(=O)CC1(N)C[C@H]1c1ccc(-c2cc(F)ccc2Cl)cc1.
What is the InChIKey of ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate?
The InChIKey is SIRDKEAXEZITIL-UCFFOFKASA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-2-24-18(23)11-19(22)10-16(19)13-5-3-12(4-6-13)15-9-14(21)7-8-17(15)20/h3-9,16H,2,10-11,22H2,1H3/t16-,19?/m0/s1.
What are the key properties of ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate?
ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate has a molecular weight of 347.82 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-amino-2-[4-(2-chloro-5-fluorophenyl)phenyl]cyclopropyl]acetate is sourced from PubChem (CID 146851054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).