trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide

C17H21Cl2NO2 — CID 95247590

IUPACtrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2NO2/c1-2-20(9-11-5-6-22-10-11)17(21)14-8-13(14)12-3-4-15(18)16(19)7-12/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyPPONKPYSCBCKDY-YUTCNCBUSA-N
MW342.27 g/mol
LogP3.98
Rot. Bonds5

About trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 95247590) has the molecular formula C17H21Cl2NO2 and a molecular weight of 342.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID95247590
Molecular FormulaC17H21Cl2NO2
Molecular Weight342.27 g/mol
Exact Mass341.09
IUPAC Nametrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2NO2/c1-2-20(9-11-5-6-22-10-11)17(21)14-8-13(14)12-3-4-15(18)16(19)7-12/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyPPONKPYSCBCKDY-YUTCNCBUSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-ethyl-2-naphthalen-1-yl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 71878161
trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 124744499
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950820
trans-(1R,2R)-N,N-bis(cyanomethyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95247693
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119824177
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
CID 95784529
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide (CID 95247590) is trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide is CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is PPONKPYSCBCKDY-YUTCNCBUSA-N. The full InChI is InChI=1S/C17H21Cl2NO2/c1-2-20(9-11-5-6-22-10-11)17(21)14-8-13(14)12-3-4-15(18)16(19)7-12/h3-4,7,11,13-14H,2,5-6,8-10H2,1H3/t11-,13+,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95247590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).