[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate

C16H19Cl2NO3 — CID 7767193

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C16H19Cl2NO3/c1-10(16(21)19-11-5-2-3-6-11)22-15(20)9-12-13(17)7-4-8-14(12)18/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyQNNSRMWPTRTKSG-SNVBAGLBSA-N
MW344.24 g/mol
LogP3.53
Rot. Bonds5

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 7767193) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
PubChem CID7767193
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)NC1CCCC1
InChIInChI=1S/C16H19Cl2NO3/c1-10(16(21)19-11-5-2-3-6-11)22-15(20)9-12-13(17)7-4-8-14(12)18/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,21)/t10-/m1/s1
InChIKeyQNNSRMWPTRTKSG-SNVBAGLBSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718286
[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 129419153
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 2606014
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718320
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767113
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 40722371
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate (CID 7767193) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate is C[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is QNNSRMWPTRTKSG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-10(16(21)19-11-5-2-3-6-11)22-15(20)9-12-13(17)7-4-8-14(12)18/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,21)/t10-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 344.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 7767193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).