N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline

C13H7ClF5N — CID 29034132

IUPACN-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(NCc2ccccc2Cl)c(F)c1F
InChIInChI=1S/C13H7ClF5N/c14-7-4-2-1-3-6(7)5-20-13-11(18)9(16)8(15)10(17)12(13)19/h1-4,20H,5H2
InChIKeyRHFSTKMNXILEOV-UHFFFAOYSA-N
MW307.65 g/mol
LogP4.65
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline

N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline (PubChem CID 29034132) has the molecular formula C13H7ClF5N and a molecular weight of 307.65 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
PubChem CID29034132
Molecular FormulaC13H7ClF5N
Molecular Weight307.65 g/mol
Exact Mass307.02
IUPAC NameN-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(NCc2ccccc2Cl)c(F)c1F
InChIInChI=1S/C13H7ClF5N/c14-7-4-2-1-3-6(7)5-20-13-11(18)9(16)8(15)10(17)12(13)19/h1-4,20H,5H2
InChIKeyRHFSTKMNXILEOV-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol;hydrochloride
CID 44657879
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
3-chloro-2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol
CID 115564169
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
CID 28950675
3-N-[(2-chlorophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 60875169
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline (CID 29034132) is N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline is Fc1c(F)c(F)c(NCc2ccccc2Cl)c(F)c1F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is RHFSTKMNXILEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5N/c14-7-4-2-1-3-6(7)5-20-13-11(18)9(16)8(15)10(17)12(13)19/h1-4,20H,5H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline?
N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 307.65 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 29034132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).