1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide

C18H21FN2O — CID 34729662

IUPAC1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)c(C)n1C1CC1
InChIInChI=1S/C18H21FN2O/c1-12-11-16(13(2)21(12)15-7-8-15)18(22)20-10-9-14-5-3-4-6-17(14)19/h3-6,11,15H,7-10H2,1-2H3,(H,20,22)
InChIKeyQOPCCOBTQWYUTL-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.55
Rot. Bonds5

About 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 34729662) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID34729662
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)c(C)n1C1CC1
InChIInChI=1S/C18H21FN2O/c1-12-11-16(13(2)21(12)15-7-8-15)18(22)20-10-9-14-5-3-4-6-17(14)19/h3-6,11,15H,7-10H2,1-2H3,(H,20,22)
InChIKeyQOPCCOBTQWYUTL-UHFFFAOYSA-N
XLogP3.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9456045
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110641710
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-methylpropanamide
CID 110641674
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-2-ethylbutanamide
CID 110641681
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120603680
4-bromo-N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]benzamide
CID 110641692
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 47009853
1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56800366
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351440
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
[2-(2-fluoroanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672525

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide (CID 34729662) is 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCc2ccccc2F)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is QOPCCOBTQWYUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-11-16(13(2)21(12)15-7-8-15)18(22)20-10-9-14-5-3-4-6-17(14)19/h3-6,11,15H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 34729662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).