2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide

C13H18F2N2O — CID 43673793

IUPAC2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
SMILESCC(C)CC(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-7(2)4-8(3)17-12-5-9(13(16)18)10(14)6-11(12)15/h5-8,17H,4H2,1-3H3,(H2,16,18)
InChIKeyDWWSDKGVINUNBV-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.91
Rot. Bonds5

About 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide

2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide (PubChem CID 43673793) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
PubChem CID43673793
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
SMILESCC(C)CC(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-7(2)4-8(3)17-12-5-9(13(16)18)10(14)6-11(12)15/h5-8,17H,4H2,1-3H3,(H2,16,18)
InChIKeyDWWSDKGVINUNBV-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
CID 43673683
methyl 2-(5-carbamoyl-2,4-difluoroanilino)butanoate
CID 115352435
2,4-difluoro-5-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43673790
5-(dicyclopropylmethylamino)-2,4-difluorobenzamide
CID 43673804
2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
CID 62201221
3-fluoro-4-(4-methylpentan-2-ylamino)benzoic acid
CID 55107408
2,4-difluoro-5-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43673811
2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
CID 63996582
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63990643
2,4-difluoro-5-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629535
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide?
The IUPAC name of 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide (CID 43673793) is 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide is CC(C)CC(C)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide?
The InChIKey is DWWSDKGVINUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-7(2)4-8(3)17-12-5-9(13(16)18)10(14)6-11(12)15/h5-8,17H,4H2,1-3H3,(H2,16,18).
What are the key properties of 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide?
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide has a molecular weight of 256.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 43673793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).