N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline

C15H13Cl2F2N — CID 43503317

IUPACN-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
SMILESCCC(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-2-15(11-5-3-9(16)7-12(11)17)20-10-4-6-13(18)14(19)8-10/h3-8,15,20H,2H2,1H3
InChIKeyHCQOMKCNVCUNLJ-UHFFFAOYSA-N
MW316.18 g/mol
LogP5.83
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline

N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline (PubChem CID 43503317) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
PubChem CID43503317
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
SMILESCCC(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2N/c1-2-15(11-5-3-9(16)7-12(11)17)20-10-4-6-13(18)14(19)8-10/h3-8,15,20H,2H2,1H3
InChIKeyHCQOMKCNVCUNLJ-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.18
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline 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

4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline (CID 43503317) is N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline is CCC(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline?
The InChIKey is HCQOMKCNVCUNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-2-15(11-5-3-9(16)7-12(11)17)20-10-4-6-13(18)14(19)8-10/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline?
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline has a molecular weight of 316.18 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline is sourced from PubChem (CID 43503317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).