2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide

C13H15F3N2O — CID 138053404

IUPAC2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide
SMILESCC1(CNc2cccc(F)c2C(N)=O)CC(F)(F)C1
InChIInChI=1S/C13H15F3N2O/c1-12(5-13(15,16)6-12)7-18-9-4-2-3-8(14)10(9)11(17)19/h2-4,18H,5-7H2,1H3,(H2,17,19)
InChIKeyLXWLOXQHFXYPPY-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.77
Rot. Bonds4

About 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide

2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide (PubChem CID 138053404) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide
PubChem CID138053404
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide
SMILESCC1(CNc2cccc(F)c2C(N)=O)CC(F)(F)C1
InChIInChI=1S/C13H15F3N2O/c1-12(5-13(15,16)6-12)7-18-9-4-2-3-8(14)10(9)11(17)19/h2-4,18H,5-7H2,1H3,(H2,17,19)
InChIKeyLXWLOXQHFXYPPY-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
5-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 104683255
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
2-[(2-carbamoyl-3-fluoroanilino)methyl]butanoic acid
CID 79513210
ethyl 3-(2-carbamoyl-3-fluoroanilino)propanoate
CID 79512517
2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
CID 79513291
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
CID 161042703
CID 161042703
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide
CID 79524482
2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide
CID 140560000

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide?
The IUPAC name of 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide (CID 138053404) is 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide?
The canonical SMILES for 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide is CC1(CNc2cccc(F)c2C(N)=O)CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide?
The InChIKey is LXWLOXQHFXYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-12(5-13(15,16)6-12)7-18-9-4-2-3-8(14)10(9)11(17)19/h2-4,18H,5-7H2,1H3,(H2,17,19).
What are the key properties of 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide?
2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide has a molecular weight of 272.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide is sourced from PubChem (CID 138053404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).