4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline

C14H12ClF2NO — CID 107265964

IUPAC4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2ccc(F)c(F)c2)ccc1Cl
InChIInChI=1S/C14H12ClF2NO/c1-19-14-7-10(3-4-11(14)15)18-8-9-2-5-12(16)13(17)6-9/h2-7,18H,8H2,1H3
InChIKeyYMBPGNIGRDLIOT-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.24
Rot. Bonds4

About 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline

4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline (PubChem CID 107265964) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
PubChem CID107265964
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2ccc(F)c(F)c2)ccc1Cl
InChIInChI=1S/C14H12ClF2NO/c1-19-14-7-10(3-4-11(14)15)18-8-9-2-5-12(16)13(17)6-9/h2-7,18H,8H2,1H3
InChIKeyYMBPGNIGRDLIOT-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline 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-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
CID 107268067
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 43727111
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline (CID 107265964) is 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline is COc1cc(NCc2ccc(F)c(F)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline?
The InChIKey is YMBPGNIGRDLIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-14-7-10(3-4-11(14)15)18-8-9-2-5-12(16)13(17)6-9/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline?
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline has a molecular weight of 283.71 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 107265964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).