N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide

C22H21Cl2F2N5O2 — CID 11755549

IUPACN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
SMILESNCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cc/c(=N\CC(F)(F)c2ccccn2)n1O
InChIInChI=1S/C22H21Cl2F2N5O2/c23-16-5-4-14(11-27)15(9-16)12-29-21(32)10-18-17(24)6-7-20(31(18)33)30-13-22(25,26)19-3-1-2-8-28-19/h1-9,33H,10-13,27H2,(H,29,32)/b30-20+
InChIKeyFLOSLVUYMWXKIT-TWKHWXDSSA-N
MW496.35 g/mol
LogP3.44
Rot. Bonds8

About N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (PubChem CID 11755549) has the molecular formula C22H21Cl2F2N5O2 and a molecular weight of 496.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
PubChem CID11755549
Molecular FormulaC22H21Cl2F2N5O2
Molecular Weight496.35 g/mol
Exact Mass495.10
IUPAC NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide
SMILESNCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cc/c(=N\CC(F)(F)c2ccccn2)n1O
InChIInChI=1S/C22H21Cl2F2N5O2/c23-16-5-4-14(11-27)15(9-16)12-29-21(32)10-18-17(24)6-7-20(31(18)33)30-13-22(25,26)19-3-1-2-8-28-19/h1-9,33H,10-13,27H2,(H,29,32)/b30-20+
InChIKeyFLOSLVUYMWXKIT-TWKHWXDSSA-N
XLogP3.44
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide 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-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?
The IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide (CID 11755549) is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)cc/c(=N\CC(F)(F)c2ccccn2)n1O.
What is the InChIKey of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?
The InChIKey is FLOSLVUYMWXKIT-TWKHWXDSSA-N. The full InChI is InChI=1S/C22H21Cl2F2N5O2/c23-16-5-4-14(11-27)15(9-16)12-29-21(32)10-18-17(24)6-7-20(31(18)33)30-13-22(25,26)19-3-1-2-8-28-19/h1-9,33H,10-13,27H2,(H,29,32)/b30-20+.
What are the key properties of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide?
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide has a molecular weight of 496.35 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxy-2-pyridinyl]acetamide is sourced from PubChem (CID 11755549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).