5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one

C19H17F2N3O2 — CID 118108616

IUPAC5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one
SMILESNc1ccc(-c2ccc(=O)[nH]c2)cc1NCc1ccccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c20-19(21)26-17-4-2-1-3-14(17)11-23-16-9-12(5-7-15(16)22)13-6-8-18(25)24-10-13/h1-10,19,23H,11,22H2,(H,24,25)
InChIKeyVMGFVDGXUMEFBL-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.84
Rot. Bonds6

About 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one

5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one (PubChem CID 118108616) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one
PubChem CID118108616
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one
SMILESNc1ccc(-c2ccc(=O)[nH]c2)cc1NCc1ccccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c20-19(21)26-17-4-2-1-3-14(17)11-23-16-9-12(5-7-15(16)22)13-6-8-18(25)24-10-13/h1-10,19,23H,11,22H2,(H,24,25)
InChIKeyVMGFVDGXUMEFBL-UHFFFAOYSA-N
XLogP3.84
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 118108504
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699393
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699565
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699395
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
5-bromo-2-[[2-(difluoromethoxy)phenyl]methylamino]benzonitrile
CID 78994094

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one (CID 118108616) is 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one is Nc1ccc(-c2ccc(=O)[nH]c2)cc1NCc1ccccc1OC(F)F.
What is the InChIKey of 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one?
The InChIKey is VMGFVDGXUMEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-19(21)26-17-4-2-1-3-14(17)11-23-16-9-12(5-7-15(16)22)13-6-8-18(25)24-10-13/h1-10,19,23H,11,22H2,(H,24,25).
What are the key properties of 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one?
5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one has a molecular weight of 357.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3-[[2-(difluoromethoxy)phenyl]methylamino]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 118108616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).