trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide

C17H16F2N2O — CID 129422455

IUPACtrans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C17H16F2N2O/c1-10(11-3-2-6-20-9-11)21-17(22)15-8-14(15)13-5-4-12(18)7-16(13)19/h2-7,9-10,14-15H,8H2,1H3,(H,21,22)/t10-,14-,15+/m0/s1
InChIKeyKUWUKAODKYHJID-NZVBXONLSA-N
MW302.32 g/mol
LogP3.34
Rot. Bonds4

About trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide (PubChem CID 129422455) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
PubChem CID129422455
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Nametrans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cccnc1
InChIInChI=1S/C17H16F2N2O/c1-10(11-3-2-6-20-9-11)21-17(22)15-8-14(15)13-5-4-12(18)7-16(13)19/h2-7,9-10,14-15H,8H2,1H3,(H,21,22)/t10-,14-,15+/m0/s1
InChIKeyKUWUKAODKYHJID-NZVBXONLSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide (CID 129422455) is trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cccnc1.
What is the InChIKey of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is KUWUKAODKYHJID-NZVBXONLSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-10(11-3-2-6-20-9-11)21-17(22)15-8-14(15)13-5-4-12(18)7-16(13)19/h2-7,9-10,14-15H,8H2,1H3,(H,21,22)/t10-,14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,4-difluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129422455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).