4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol

C14H12Cl2FNO — CID 139021254

IUPAC4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cc(O)ccc1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18(10-2-5-14(17)13(16)7-10)8-9-6-11(19)3-4-12(9)15/h2-7,19H,8H2,1H3
InChIKeyWBWCUJISEXXSGU-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol

4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol (PubChem CID 139021254) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol
PubChem CID139021254
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cc(O)ccc1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-18(10-2-5-14(17)13(16)7-10)8-9-6-11(19)3-4-12(9)15/h2-7,19H,8H2,1H3
InChIKeyWBWCUJISEXXSGU-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-3-chloro-4-fluoro-N-methylaniline
CID 115261751
(E)-4-(3-chloro-4-fluoro-N-methylanilino)but-2-enoic acid
CID 115237024
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
2-[(3-chloro-4-fluoro-N-methylanilino)methyl]butanoic acid
CID 115249832
1-(3-chloro-4-fluoro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514805
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
3-chloro-4-fluoro-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229905
4-bromo-3-[(4-ethyl-N-methylanilino)methyl]phenol
CID 82978315
4-chloro-3-fluorophenol;3,4-difluorophenol
CID 158558781
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol?
The IUPAC name of 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol (CID 139021254) is 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol.
What is the SMILES notation for 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol?
The canonical SMILES for 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol is CN(Cc1cc(O)ccc1Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol?
The InChIKey is WBWCUJISEXXSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-18(10-2-5-14(17)13(16)7-10)8-9-6-11(19)3-4-12(9)15/h2-7,19H,8H2,1H3.
What are the key properties of 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol?
4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol has a molecular weight of 300.16 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-chloro-4-fluoro-N-methylanilino)methyl]phenol is sourced from PubChem (CID 139021254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).