N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate

C21H17ClF2N3O4- — CID 154349057

IUPACN-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate
SMILESO=C([O-])NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(Cl)c2o1
InChIInChI=1S/C21H18ClF2N3O4/c22-16-9-13(7-14-8-15(31-18(14)16)11-26-20(29)30)17-2-1-12(10-25-17)19(28)27-5-3-21(23,24)4-6-27/h1-2,7-10,26H,3-6,11H2,(H,29,30)/p-1
InChIKeyLRDXYPRTFRQCKF-UHFFFAOYSA-M
MW448.83 g/mol
LogP3.45
Rot. Bonds4

About N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate

N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate (PubChem CID 154349057) has the molecular formula C21H17ClF2N3O4- and a molecular weight of 448.83 g/mol. Its IUPAC name is N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate.

Molecular Properties

Compound NameN-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate
PubChem CID154349057
Molecular FormulaC21H17ClF2N3O4-
Molecular Weight448.83 g/mol
Exact Mass448.09
IUPAC NameN-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate
SMILESO=C([O-])NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(Cl)c2o1
InChIInChI=1S/C21H18ClF2N3O4/c22-16-9-13(7-14-8-15(31-18(14)16)11-26-20(29)30)17-2-1-12(10-25-17)19(28)27-5-3-21(23,24)4-6-27/h1-2,7-10,26H,3-6,11H2,(H,29,30)/p-1
InChIKeyLRDXYPRTFRQCKF-UHFFFAOYSA-M
XLogP3.45
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate 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-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate?
The IUPAC name of N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate (CID 154349057) is N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate.
What is the SMILES notation for N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate?
The canonical SMILES for N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate is O=C([O-])NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(Cl)c2o1.
What is the InChIKey of N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate?
The InChIKey is LRDXYPRTFRQCKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H18ClF2N3O4/c22-16-9-13(7-14-8-15(31-18(14)16)11-26-20(29)30)17-2-1-12(10-25-17)19(28)27-5-3-21(23,24)4-6-27/h1-2,7-10,26H,3-6,11H2,(H,29,30)/p-1.
What are the key properties of N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate?
N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate has a molecular weight of 448.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate is sourced from PubChem (CID 154349057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).