N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide

C16H17FN2O — CID 110467073

IUPACN-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H17FN2O/c1-19-11-2-4-14(19)15(20)18-16(9-3-10-16)12-5-7-13(17)8-6-12/h2,4-8,11H,3,9-10H2,1H3,(H,18,20)
InChIKeyAGOILHAPXRATIY-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide

N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide (PubChem CID 110467073) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
PubChem CID110467073
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H17FN2O/c1-19-11-2-4-14(19)15(20)18-16(9-3-10-16)12-5-7-13(17)8-6-12/h2,4-8,11H,3,9-10H2,1H3,(H,18,20)
InChIKeyAGOILHAPXRATIY-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60827601
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
[2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 71888068
2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 136545691
N-[1-(4-fluorophenyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 110461393
N-[1-(4-fluorophenyl)cyclopentyl]-2-methoxypyridine-3-carboxamide
CID 60589118

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide (CID 110467073) is N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is AGOILHAPXRATIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19-11-2-4-14(19)15(20)18-16(9-3-10-16)12-5-7-13(17)8-6-12/h2,4-8,11H,3,9-10H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 272.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclobutyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 110467073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).