N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide

C20H23FN4O2 — CID 20605671

IUPACN-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide
SMILESCCCc1[nH]cc(C(=O)Nc2ccc(OC(C)C)cc2F)c1-c1ncc[nH]1
InChIInChI=1S/C20H23FN4O2/c1-4-5-17-18(19-22-8-9-23-19)14(11-24-17)20(26)25-16-7-6-13(10-15(16)21)27-12(2)3/h6-12,24H,4-5H2,1-3H3,(H,22,23)(H,25,26)
InChIKeyRQCZTVMNYFJCBM-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.54
Rot. Bonds7

About N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide

N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide (PubChem CID 20605671) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide
PubChem CID20605671
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide
SMILESCCCc1[nH]cc(C(=O)Nc2ccc(OC(C)C)cc2F)c1-c1ncc[nH]1
InChIInChI=1S/C20H23FN4O2/c1-4-5-17-18(19-22-8-9-23-19)14(11-24-17)20(26)25-16-7-6-13(10-15(16)21)27-12(2)3/h6-12,24H,4-5H2,1-3H3,(H,22,23)(H,25,26)
InChIKeyRQCZTVMNYFJCBM-UHFFFAOYSA-N
XLogP4.54
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide (CID 20605671) is N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide is CCCc1[nH]cc(C(=O)Nc2ccc(OC(C)C)cc2F)c1-c1ncc[nH]1.
What is the InChIKey of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide?
The InChIKey is RQCZTVMNYFJCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-4-5-17-18(19-22-8-9-23-19)14(11-24-17)20(26)25-16-7-6-13(10-15(16)21)27-12(2)3/h6-12,24H,4-5H2,1-3H3,(H,22,23)(H,25,26).
What are the key properties of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide?
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1H-imidazol-2-yl)-5-propyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 20605671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).