1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide

C19H21FN2O2 — CID 124621007

IUPAC1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(C)n1C1CC1
InChIInChI=1S/C19H21FN2O2/c1-11-10-15(12(2)22(11)13-6-7-13)19(23)21-17-8-9-24-18-14(17)4-3-5-16(18)20/h3-5,10,13,17H,6-9H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyAAVNAXLQOWLQDG-KRWDZBQOSA-N
MW328.39 g/mol
LogP3.83
Rot. Bonds3

About 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 124621007) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID124621007
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(C)n1C1CC1
InChIInChI=1S/C19H21FN2O2/c1-11-10-15(12(2)22(11)13-6-7-13)19(23)21-17-8-9-24-18-14(17)4-3-5-16(18)20/h3-5,10,13,17H,6-9H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyAAVNAXLQOWLQDG-KRWDZBQOSA-N
XLogP3.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide (CID 124621007) is 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is AAVNAXLQOWLQDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-11-10-15(12(2)22(11)13-6-7-13)19(23)21-17-8-9-24-18-14(17)4-3-5-16(18)20/h3-5,10,13,17H,6-9H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 124621007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).