[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate

C16H16ClNO5 — CID 8909333

IUPAC[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccccc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C16H16ClNO5/c1-11(16(20)18-9-12-5-4-8-21-12)23-15(19)10-22-14-7-3-2-6-13(14)17/h2-8,11H,9-10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyFFRAIDSVFBDRDP-NSHDSACASA-N
MW337.76 g/mol
LogP2.56
Rot. Bonds7

About [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate (PubChem CID 8909333) has the molecular formula C16H16ClNO5 and a molecular weight of 337.76 g/mol. Its IUPAC name is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
PubChem CID8909333
Molecular FormulaC16H16ClNO5
Molecular Weight337.76 g/mol
Exact Mass337.07
IUPAC Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccccc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C16H16ClNO5/c1-11(16(20)18-9-12-5-4-8-21-12)23-15(19)10-22-14-7-3-2-6-13(14)17/h2-8,11H,9-10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyFFRAIDSVFBDRDP-NSHDSACASA-N
XLogP2.56
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013492
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631415
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842567
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55419304
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 7758226
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701909
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234960
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820560
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 18111286
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate (CID 8909333) is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate is C[C@H](OC(=O)COc1ccccc1Cl)C(=O)NCc1ccco1.
What is the InChIKey of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate?
The InChIKey is FFRAIDSVFBDRDP-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClNO5/c1-11(16(20)18-9-12-5-4-8-21-12)23-15(19)10-22-14-7-3-2-6-13(14)17/h2-8,11H,9-10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate?
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate has a molecular weight of 337.76 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 8909333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).