N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide

C17H20FN3O2 — CID 155953933

IUPACN-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC1(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H20FN3O2/c18-13-3-1-12(2-4-13)14-9-20-10-15(14)16(22)21-11-17(19)5-7-23-8-6-17/h1-4,9-10,20H,5-8,11,19H2,(H,21,22)
InChIKeyKSTQZHDPZGFCLU-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.06
Rot. Bonds4

About N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide

N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 155953933) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID155953933
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC1(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H20FN3O2/c18-13-3-1-12(2-4-13)14-9-20-10-15(14)16(22)21-11-17(19)5-7-23-8-6-17/h1-4,9-10,20H,5-8,11,19H2,(H,21,22)
InChIKeyKSTQZHDPZGFCLU-UHFFFAOYSA-N
XLogP2.06
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide
CID 173464076
4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide
CID 111485358
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 119616534
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119453092
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide (CID 155953933) is N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide is NC1(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is KSTQZHDPZGFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-13-3-1-12(2-4-13)14-9-20-10-15(14)16(22)21-11-17(19)5-7-23-8-6-17/h1-4,9-10,20H,5-8,11,19H2,(H,21,22).
What are the key properties of N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 155953933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).