N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide

C20H22FN3O2 — CID 11002751

IUPACN-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide
SMILESCC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
InChIKeyNYSQQEAGMVLKLA-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.38
Rot. Bonds2

About N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide

N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide (PubChem CID 11002751) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide
PubChem CID11002751
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide
SMILESCC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
InChIKeyNYSQQEAGMVLKLA-UHFFFAOYSA-N
XLogP4.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide (CID 11002751) is N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide is CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide?
The InChIKey is NYSQQEAGMVLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25).
What are the key properties of N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide?
N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 11002751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).