N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline

C13H9Cl2F2N — CID 63452474

IUPACN-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
SMILESFc1cccc(NCc2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C13H9Cl2F2N/c14-9-4-8(5-10(15)6-9)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2
InChIKeyYECLCFULVKSKGT-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline

N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline (PubChem CID 63452474) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
PubChem CID63452474
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
SMILESFc1cccc(NCc2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C13H9Cl2F2N/c14-9-4-8(5-10(15)6-9)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2
InChIKeyYECLCFULVKSKGT-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 63454346
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
N-benzyl-2,3-difluoroaniline
CID 21321341
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline (CID 63452474) is N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline is Fc1cccc(NCc2cc(Cl)cc(Cl)c2)c1F.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline?
The InChIKey is YECLCFULVKSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-9-4-8(5-10(15)6-9)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline?
N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline has a molecular weight of 288.12 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline is sourced from PubChem (CID 63452474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).