N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide

C20H18F4N6O2 — CID 118308214

IUPACN-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide
SMILESO=C(N[C@H]1CC(F)(F)C[C@@H]1Nc1ccc(OC(F)F)cn1)c1ccccc1-n1nccn1
InChIInChI=1S/C20H18F4N6O2/c21-19(22)32-12-5-6-17(25-11-12)28-14-9-20(23,24)10-15(14)29-18(31)13-3-1-2-4-16(13)30-26-7-8-27-30/h1-8,11,14-15,19H,9-10H2,(H,25,28)(H,29,31)/t14-,15-/m0/s1
InChIKeySQQCTQCNQDPCIH-GJZGRUSLSA-N
MW450.40 g/mol
LogP3.27
Rot. Bonds7

About N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide

N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 118308214) has the molecular formula C20H18F4N6O2 and a molecular weight of 450.40 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID118308214
Molecular FormulaC20H18F4N6O2
Molecular Weight450.40 g/mol
Exact Mass450.14
IUPAC NameN-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide
SMILESO=C(N[C@H]1CC(F)(F)C[C@@H]1Nc1ccc(OC(F)F)cn1)c1ccccc1-n1nccn1
InChIInChI=1S/C20H18F4N6O2/c21-19(22)32-12-5-6-17(25-11-12)28-14-9-20(23,24)10-15(14)29-18(31)13-3-1-2-4-16(13)30-26-7-8-27-30/h1-8,11,14-15,19H,9-10H2,(H,25,28)(H,29,31)/t14-,15-/m0/s1
InChIKeySQQCTQCNQDPCIH-GJZGRUSLSA-N
XLogP3.27
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide 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 N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide (CID 118308214) is N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide is O=C(N[C@H]1CC(F)(F)C[C@@H]1Nc1ccc(OC(F)F)cn1)c1ccccc1-n1nccn1.
What is the InChIKey of N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is SQQCTQCNQDPCIH-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H18F4N6O2/c21-19(22)32-12-5-6-17(25-11-12)28-14-9-20(23,24)10-15(14)29-18(31)13-3-1-2-4-16(13)30-26-7-8-27-30/h1-8,11,14-15,19H,9-10H2,(H,25,28)(H,29,31)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide?
N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 450.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118308214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).