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

C17H16Cl2N2O — CID 95243220

IUPACtrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccn1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-15-5-4-11(9-16(15)19)13-10-14(13)17(22)21-8-6-12-3-1-2-7-20-12/h1-5,7,9,13-14H,6,8,10H2,(H,21,22)/t13-,14+/m1/s1
InChIKeySIRHSLIRGCFPMC-KGLIPLIRSA-N
MW335.23 g/mol
LogP3.85
Rot. Bonds5

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

trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 95243220) 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-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID95243220
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Nametrans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccn1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O/c18-15-5-4-11(9-16(15)19)13-10-14(13)17(22)21-8-6-12-3-1-2-7-20-12/h1-5,7,9,13-14H,6,8,10H2,(H,21,22)/t13-,14+/m1/s1
InChIKeySIRHSLIRGCFPMC-KGLIPLIRSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 95247432
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210356
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide (CID 95243220) is trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide is O=C(NCCc1ccccn1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is SIRHSLIRGCFPMC-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-15-5-4-11(9-16(15)19)13-10-14(13)17(22)21-8-6-12-3-1-2-7-20-12/h1-5,7,9,13-14H,6,8,10H2,(H,21,22)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 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-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95243220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).