[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

C14H14Cl2FNO3 — CID 7864054

IUPAC[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESC[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14Cl2FNO3/c1-8(21-12(20)13(2)7-14(13,15)16)11(19)18-10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H,18,19)/t8-,13-/m1/s1
InChIKeyAHCXMEDLMQXKAC-AMIZOPFISA-N
MW334.17 g/mol
LogP3.28
Rot. Bonds4

About [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 7864054) has the molecular formula C14H14Cl2FNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID7864054
Molecular FormulaC14H14Cl2FNO3
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC Name[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESC[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14Cl2FNO3/c1-8(21-12(20)13(2)7-14(13,15)16)11(19)18-10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H,18,19)/t8-,13-/m1/s1
InChIKeyAHCXMEDLMQXKAC-AMIZOPFISA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3402579
[2-(2-Methylanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3551385
(2-Anilino-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3490954
[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 4579006
[2-(3-Fluoroanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 16289700
[2-(4-Tert-butylanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4169272
[2-(4-Fluoroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2334937
[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2432103
[2-(4-Fluoroanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4255817
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4265790
Acetamide, N-(4-fluorophenyl)-2-acetoxy-
CID 531942
Acetoxyacetamide, N-(2-fluorophenyl)-
CID 532994

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 7864054) is [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is C[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is AHCXMEDLMQXKAC-AMIZOPFISA-N. The full InChI is InChI=1S/C14H14Cl2FNO3/c1-8(21-12(20)13(2)7-14(13,15)16)11(19)18-10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H,18,19)/t8-,13-/m1/s1.
What are the key properties of [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 334.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 7864054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).