[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C12H10Cl2N2O3 — CID 7843849

IUPAC[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESC[C@H](C#N)OC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O3/c1-7(5-15)19-11(17)6-16-12(18)9-3-2-8(13)4-10(9)14/h2-4,7H,6H2,1H3,(H,16,18)/t7-/m1/s1
InChIKeyKBIGRDJCPCLBDA-SSDOTTSWSA-N
MW301.13 g/mol
LogP2.18
Rot. Bonds4

About [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843849) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843849
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESC[C@H](C#N)OC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O3/c1-7(5-15)19-11(17)6-16-12(18)9-3-2-8(13)4-10(9)14/h2-4,7H,6H2,1H3,(H,16,18)/t7-/m1/s1
InChIKeyKBIGRDJCPCLBDA-SSDOTTSWSA-N
XLogP2.18
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 46789289
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 3692292
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 2427750
[(1S)-1-cyanoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885185
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 11938439
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843849) is [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is C[C@H](C#N)OC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is KBIGRDJCPCLBDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-7(5-15)19-11(17)6-16-12(18)9-3-2-8(13)4-10(9)14/h2-4,7H,6H2,1H3,(H,16,18)/t7-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 301.13 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).