(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate

C18H17Cl2NO4 — CID 8842112

IUPAC(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-12(21-17(22)11-24-15-5-3-2-4-6-15)18(23)25-10-13-7-8-14(19)9-16(13)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyBBFIPNPYUKLIOJ-LBPRGKRZSA-N
MW382.24 g/mol
LogP3.62
Rot. Bonds7

About (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate

(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate (PubChem CID 8842112) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
PubChem CID8842112
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO4/c1-12(21-17(22)11-24-15-5-3-2-4-6-15)18(23)25-10-13-7-8-14(19)9-16(13)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyBBFIPNPYUKLIOJ-LBPRGKRZSA-N
XLogP3.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842595
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842998
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
CID 146175960
(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 2450720
(4-nitrophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842104
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2,4-dichlorophenyl)methyl 2-[(3-nitrobenzoyl)amino]propanoate
CID 55309534
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994
[(1S)-1-cyanoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842803
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842869

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The IUPAC name of (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate (CID 8842112) is (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate is C[C@H](NC(=O)COc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The InChIKey is BBFIPNPYUKLIOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-12(21-17(22)11-24-15-5-3-2-4-6-15)18(23)25-10-13-7-8-14(19)9-16(13)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate has a molecular weight of 382.24 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate is sourced from PubChem (CID 8842112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).