2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide

C14H20F2N2O2 — CID 43673683

IUPAC2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
SMILESCOC(C)(C)CC(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-8(7-14(2,3)20-4)18-12-5-9(13(17)19)10(15)6-11(12)16/h5-6,8,18H,7H2,1-4H3,(H2,17,19)
InChIKeyRVQRZWDIVJQYJC-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.68
Rot. Bonds6

About 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide

2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide (PubChem CID 43673683) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
PubChem CID43673683
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
SMILESCOC(C)(C)CC(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-8(7-14(2,3)20-4)18-12-5-9(13(17)19)10(15)6-11(12)16/h5-6,8,18H,7H2,1-4H3,(H2,17,19)
InChIKeyRVQRZWDIVJQYJC-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
methyl 2-(5-carbamoyl-2,4-difluoroanilino)butanoate
CID 115352435
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
2,3,5-trifluoro-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 62811459
methyl 2,4-difluoro-5-(pentan-2-ylamino)benzoate
CID 43731449
2,4-difluoro-5-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43673790
methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
CID 43321970
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
methyl 2,4-difluoro-5-(propan-2-ylamino)benzoate
CID 43731464
5-(dicyclopropylmethylamino)-2,4-difluorobenzamide
CID 43673804
2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
CID 62201221

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide (CID 43673683) is 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide is COC(C)(C)CC(C)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide?
The InChIKey is RVQRZWDIVJQYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-8(7-14(2,3)20-4)18-12-5-9(13(17)19)10(15)6-11(12)16/h5-6,8,18H,7H2,1-4H3,(H2,17,19).
What are the key properties of 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide?
2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide has a molecular weight of 286.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide is sourced from PubChem (CID 43673683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).