[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate

C13H14ClNO3 — CID 2363250

IUPAC[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESC[C@@H](OC(=O)C1CC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c1-8(18-13(17)9-5-6-9)12(16)15-11-4-2-3-10(14)7-11/h2-4,7-9H,5-6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeySBNVWRRWQPGAIP-MRVPVSSYSA-N
MW267.71 g/mol
LogP2.62
Rot. Bonds4

About [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate (PubChem CID 2363250) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
PubChem CID2363250
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESC[C@@H](OC(=O)C1CC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO3/c1-8(18-13(17)9-5-6-9)12(16)15-11-4-2-3-10(14)7-11/h2-4,7-9H,5-6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeySBNVWRRWQPGAIP-MRVPVSSYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932060
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932062
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2396184
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
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[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
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[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932078
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7634998

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate (CID 2363250) is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate is C[C@@H](OC(=O)C1CC1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The InChIKey is SBNVWRRWQPGAIP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8(18-13(17)9-5-6-9)12(16)15-11-4-2-3-10(14)7-11/h2-4,7-9H,5-6H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate has a molecular weight of 267.71 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 2363250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).