2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide

C11H11F3N2O2 — CID 142196118

IUPAC2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide
SMILESNC(=O)c1cc(F)c(F)c(OCF)c1NC1CC1
InChIInChI=1S/C11H11F3N2O2/c12-4-18-10-8(14)7(13)3-6(11(15)17)9(10)16-5-1-2-5/h3,5,16H,1-2,4H2,(H2,15,17)
InChIKeyQFUSAUKYZLMCFH-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.94
Rot. Bonds5

About 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide

2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide (PubChem CID 142196118) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide
PubChem CID142196118
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide
SMILESNC(=O)c1cc(F)c(F)c(OCF)c1NC1CC1
InChIInChI=1S/C11H11F3N2O2/c12-4-18-10-8(14)7(13)3-6(11(15)17)9(10)16-5-1-2-5/h3,5,16H,1-2,4H2,(H2,15,17)
InChIKeyQFUSAUKYZLMCFH-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trifluoro-3-(fluoromethoxy)benzamide
CID 86588500
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 103290058
2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139
2-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]cyclohexyl]-3,4,5-trifluorobenzamide
CID 141129528
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
2-cyclobutyloxy-3,4-difluorobenzamide
CID 21191364
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
CID 43673699
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
tert-butyl N-[4-[[5-carbamoyl-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamate
CID 123685287
2-[4-[[6-[ethyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 87873625

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide?
The IUPAC name of 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide (CID 142196118) is 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide.
What is the SMILES notation for 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide?
The canonical SMILES for 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide is NC(=O)c1cc(F)c(F)c(OCF)c1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide?
The InChIKey is QFUSAUKYZLMCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-4-18-10-8(14)7(13)3-6(11(15)17)9(10)16-5-1-2-5/h3,5,16H,1-2,4H2,(H2,15,17).
What are the key properties of 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide?
2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide has a molecular weight of 260.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4,5-difluoro-3-(fluoromethoxy)benzamide is sourced from PubChem (CID 142196118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).