1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one

C19H13ClF4N2O2 — CID 21035293

IUPAC1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
SMILESNCc1cc(F)c(-n2ccc(OCc3ccc(F)cc3F)c(Cl)c2=O)c(F)c1
InChIInChI=1S/C19H13ClF4N2O2/c20-17-16(28-9-11-1-2-12(21)7-13(11)22)3-4-26(19(17)27)18-14(23)5-10(8-25)6-15(18)24/h1-7H,8-9,25H2
InChIKeySHHJARKFTJMVSB-UHFFFAOYSA-N
MW412.77 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one

1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one (PubChem CID 21035293) has the molecular formula C19H13ClF4N2O2 and a molecular weight of 412.77 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
PubChem CID21035293
Molecular FormulaC19H13ClF4N2O2
Molecular Weight412.77 g/mol
Exact Mass412.06
IUPAC Name1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one
SMILESNCc1cc(F)c(-n2ccc(OCc3ccc(F)cc3F)c(Cl)c2=O)c(F)c1
InChIInChI=1S/C19H13ClF4N2O2/c20-17-16(28-9-11-1-2-12(21)7-13(11)22)3-4-26(19(17)27)18-14(23)5-10(8-25)6-15(18)24/h1-7H,8-9,25H2
InChIKeySHHJARKFTJMVSB-UHFFFAOYSA-N
XLogP4.09
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one with MolForge

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Related Compounds

3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050346
1-[4-(Aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050423
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(hydroxymethyl)pyridin-2(1H)-one
CID 22050683
3-Chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
CID 22050760
3-Chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050837
1-[3-(aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051179
4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl]amino}phenyl)pyridin-2(1H)-one
CID 53318594
2-amino-N-[[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
CID 56673497
[4-[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
CID 56673498
4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-yl)phenethyl)pyridin-2(1H)-one
CID 45487375
4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)phenyl)pyridin-2(1H)-one
CID 45487371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one (CID 21035293) is 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one is NCc1cc(F)c(-n2ccc(OCc3ccc(F)cc3F)c(Cl)c2=O)c(F)c1.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one?
The InChIKey is SHHJARKFTJMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O2/c20-17-16(28-9-11-1-2-12(21)7-13(11)22)3-4-26(19(17)27)18-14(23)5-10(8-25)6-15(18)24/h1-7H,8-9,25H2.
What are the key properties of 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one?
1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one has a molecular weight of 412.77 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-difluorophenyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 21035293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).