N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide

C11H11F2NO3 — CID 171382840

IUPACN-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide
SMILESO=C(NC1CC1)c1cc(O)cc(OC(F)F)c1
InChIInChI=1S/C11H11F2NO3/c12-11(13)17-9-4-6(3-8(15)5-9)10(16)14-7-1-2-7/h3-5,7,11,15H,1-2H2,(H,14,16)
InChIKeyVPDMCVACJHNMPD-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.89
Rot. Bonds4

About N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide

N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide (PubChem CID 171382840) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide
PubChem CID171382840
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC NameN-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide
SMILESO=C(NC1CC1)c1cc(O)cc(OC(F)F)c1
InChIInChI=1S/C11H11F2NO3/c12-11(13)17-9-4-6(3-8(15)5-9)10(16)14-7-1-2-7/h3-5,7,11,15H,1-2H2,(H,14,16)
InChIKeyVPDMCVACJHNMPD-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
CID 171382844
N-(4-aminocyclohexyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119478485
3-bromo-1-[3-(difluoromethoxy)-5-hydroxyphenyl]propan-1-one
CID 134625271
[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid
CID 141280419
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291060
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
CID 108562900

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide (CID 171382840) is N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide is O=C(NC1CC1)c1cc(O)cc(OC(F)F)c1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide?
The InChIKey is VPDMCVACJHNMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c12-11(13)17-9-4-6(3-8(15)5-9)10(16)14-7-1-2-7/h3-5,7,11,15H,1-2H2,(H,14,16).
What are the key properties of N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide?
N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide has a molecular weight of 243.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide is sourced from PubChem (CID 171382840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).