cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide

C15H16ClNO3 — CID 95781314

IUPACcis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1=COCCO1)[C@@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3/c16-14-4-2-1-3-11(14)12-7-13(12)15(18)17-8-10-9-19-5-6-20-10/h1-4,9,12-13H,5-8H2,(H,17,18)/t12-,13-/m1/s1
InChIKeyIVCFLMWDCJRISR-CHWSQXEVSA-N
MW293.75 g/mol
LogP2.45
Rot. Bonds4

About cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 95781314) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
PubChem CID95781314
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namecis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1=COCCO1)[C@@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3/c16-14-4-2-1-3-11(14)12-7-13(12)15(18)17-8-10-9-19-5-6-20-10/h1-4,9,12-13H,5-8H2,(H,17,18)/t12-,13-/m1/s1
InChIKeyIVCFLMWDCJRISR-CHWSQXEVSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
5-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110269
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542776
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 94353124
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide (CID 95781314) is cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide is O=C(NCC1=COCCO1)[C@@H]1C[C@@H]1c1ccccc1Cl.
What is the InChIKey of cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is IVCFLMWDCJRISR-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-14-4-2-1-3-11(14)12-7-13(12)15(18)17-8-10-9-19-5-6-20-10/h1-4,9,12-13H,5-8H2,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95781314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).