trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C17H16Cl2N2O — CID 95247432

IUPACtrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c1-21(10-12-4-2-3-7-20-12)17(22)14-9-13(14)11-5-6-15(18)16(19)8-11/h2-8,13-14H,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyXIGFGPGVBNVZJQ-KGLIPLIRSA-N
MW335.23 g/mol
LogP4.15
Rot. Bonds4

About trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 95247432) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID95247432
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Nametrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c1-21(10-12-4-2-3-7-20-12)17(22)14-9-13(14)11-5-6-15(18)16(19)8-11/h2-8,13-14H,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyXIGFGPGVBNVZJQ-KGLIPLIRSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(furan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 97314930
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 107433918
trans-(1R,2R)-N,N-bis(cyanomethyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95247693
N-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 56783064
2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119442332
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
CID 95784529
tert-butyl (3S,4S)-3-methyl-4-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 122151475
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
2-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976691

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 95247432) is trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1ccccn1)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-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is XIGFGPGVBNVZJQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-21(10-12-4-2-3-7-20-12)17(22)14-9-13(14)11-5-6-15(18)16(19)8-11/h2-8,13-14H,9-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 4.15, 4 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-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95247432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).