N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide

C10H12F2N2O — CID 126791351

IUPACN-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C10H12F2N2O/c1-14-4-2-3-8(14)9(15)13-7-5-10(11,12)6-7/h2-4,7H,5-6H2,1H3,(H,13,15)
InChIKeyAHYGAERSCHIPPV-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.55
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide

N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide (PubChem CID 126791351) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
PubChem CID126791351
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C10H12F2N2O/c1-14-4-2-3-8(14)9(15)13-7-5-10(11,12)6-7/h2-4,7H,5-6H2,1H3,(H,13,15)
InChIKeyAHYGAERSCHIPPV-UHFFFAOYSA-N
XLogP1.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide
CID 51105892
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
CID 86768199
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-methylpyrrole-2-carboxamide
CID 131924189
N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide
CID 75374104
(1S,3R)-3-[(1-methylpyrrole-2-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166254703
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
N-[(6aR,8R)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methylpyrrole-2-carboxamide
CID 163129546
methyl (1S,2R,3R,4S)-3-[(1-methylpyrrole-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124790214
N-(5-hydroxy-2,8-dioxo-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl)-1-methylpyrrole-2-carboxamide
CID 3871030
N-[1-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-1-methylpyrrole-2-carboxamide
CID 98361735

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide (CID 126791351) is N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is AHYGAERSCHIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-14-4-2-3-8(14)9(15)13-7-5-10(11,12)6-7/h2-4,7H,5-6H2,1H3,(H,13,15).
What are the key properties of N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide?
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 214.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 126791351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).