[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

C18H17Cl2NO3 — CID 18079013

IUPAC[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC(OC(=O)C1(C)CC1(Cl)Cl)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H17Cl2NO3/c1-11(24-16(23)17(2)10-18(17,19)20)15(22)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyDRPMZAWDZJBBNH-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.29
Rot. Bonds4

About [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 18079013) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID18079013
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC(OC(=O)C1(C)CC1(Cl)Cl)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H17Cl2NO3/c1-11(24-16(23)17(2)10-18(17,19)20)15(22)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyDRPMZAWDZJBBNH-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.29
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

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2627422
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454551
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454550
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454590
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7463132
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454574
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864190
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949860
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927133

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 18079013) is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is CC(OC(=O)C1(C)CC1(Cl)Cl)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is DRPMZAWDZJBBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11(24-16(23)17(2)10-18(17,19)20)15(22)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 366.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 18079013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).