4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide

C17H26FN3O2 — CID 167752880

IUPAC4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide
SMILESCCCCC(C)C(=O)NCC1(NC(=O)c2cc(F)c[nH]2)CCC1
InChIInChI=1S/C17H26FN3O2/c1-3-4-6-12(2)15(22)20-11-17(7-5-8-17)21-16(23)14-9-13(18)10-19-14/h9-10,12,19H,3-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZXUALPVOIHUGFD-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.75
Rot. Bonds8

About 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide

4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide (PubChem CID 167752880) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide
PubChem CID167752880
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide
SMILESCCCCC(C)C(=O)NCC1(NC(=O)c2cc(F)c[nH]2)CCC1
InChIInChI=1S/C17H26FN3O2/c1-3-4-6-12(2)15(22)20-11-17(7-5-8-17)21-16(23)14-9-13(18)10-19-14/h9-10,12,19H,3-8,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZXUALPVOIHUGFD-UHFFFAOYSA-N
XLogP2.75
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide
CID 154773284
4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
CID 130962748
4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
CID 126787465
4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
CID 62521821
N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 63888390
3-chloro-N-[1-[(3R)-4-(4-fluoroanilino)-3-methyl-4-oxobutyl]cyclobutyl]-4-methylbenzamide
CID 166896832
2-methyl-N-propan-2-ylhexanamide
CID 19752015
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129487962
(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
CID 103950943
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide (CID 167752880) is 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide is CCCCC(C)C(=O)NCC1(NC(=O)c2cc(F)c[nH]2)CCC1.
What is the InChIKey of 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZXUALPVOIHUGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-3-4-6-12(2)15(22)20-11-17(7-5-8-17)21-16(23)14-9-13(18)10-19-14/h9-10,12,19H,3-8,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide?
4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167752880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).