N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide

C18H20F3N3O2 — CID 146642855

IUPACN-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide
SMILESCCN(C)c1c(N)ccc(F)c1CNC(=O)c1cc(F)c(OC)c(F)c1
InChIInChI=1S/C18H20F3N3O2/c1-4-24(2)16-11(12(19)5-6-15(16)22)9-23-18(25)10-7-13(20)17(26-3)14(21)8-10/h5-8H,4,9,22H2,1-3H3,(H,23,25)
InChIKeyJIFFFKCTKJXLKP-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.08
Rot. Bonds6

About N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide

N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide (PubChem CID 146642855) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide
PubChem CID146642855
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide
SMILESCCN(C)c1c(N)ccc(F)c1CNC(=O)c1cc(F)c(OC)c(F)c1
InChIInChI=1S/C18H20F3N3O2/c1-4-24(2)16-11(12(19)5-6-15(16)22)9-23-18(25)10-7-13(20)17(26-3)14(21)8-10/h5-8H,4,9,22H2,1-3H3,(H,23,25)
InChIKeyJIFFFKCTKJXLKP-UHFFFAOYSA-N
XLogP3.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide
CID 146642838
3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
CID 137453514
2-N-ethyl-3-[(3-fluoro-4-methoxyanilino)methyl]-4-methoxy-2-N-methylbenzene-1,2-diamine
CID 146643808
3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
CID 139532981
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693

Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide?
The IUPAC name of N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide (CID 146642855) is N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide?
The canonical SMILES for N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide is CCN(C)c1c(N)ccc(F)c1CNC(=O)c1cc(F)c(OC)c(F)c1.
What is the InChIKey of N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide?
The InChIKey is JIFFFKCTKJXLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-4-24(2)16-11(12(19)5-6-15(16)22)9-23-18(25)10-7-13(20)17(26-3)14(21)8-10/h5-8H,4,9,22H2,1-3H3,(H,23,25).
What are the key properties of N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide?
N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide has a molecular weight of 367.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide is sourced from PubChem (CID 146642855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).