8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide

C19H23ClF2N2O2 — CID 118861342

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide
SMILESCC(CO)c1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12
InChIInChI=1S/C19H23ClF2N2O2/c1-12(11-25)16-9-14(17-15(20)3-2-8-24(16)17)18(26)23-10-13-4-6-19(21,22)7-5-13/h2-3,8-9,12-13,25H,4-7,10-11H2,1H3,(H,23,26)
InChIKeySILRZQCQYBONOD-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.24
Rot. Bonds5

About 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide (PubChem CID 118861342) has the molecular formula C19H23ClF2N2O2 and a molecular weight of 384.85 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide
PubChem CID118861342
Molecular FormulaC19H23ClF2N2O2
Molecular Weight384.85 g/mol
Exact Mass384.14
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide
SMILESCC(CO)c1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12
InChIInChI=1S/C19H23ClF2N2O2/c1-12(11-25)16-9-14(17-15(20)3-2-8-24(16)17)18(26)23-10-13-4-6-19(21,22)7-5-13/h2-3,8-9,12-13,25H,4-7,10-11H2,1H3,(H,23,26)
InChIKeySILRZQCQYBONOD-UHFFFAOYSA-N
XLogP4.24
TPSA53.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide (CID 118861342) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide is CC(CO)c1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12.
What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide?
The InChIKey is SILRZQCQYBONOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N2O2/c1-12(11-25)16-9-14(17-15(20)3-2-8-24(16)17)18(26)23-10-13-4-6-19(21,22)7-5-13/h2-3,8-9,12-13,25H,4-7,10-11H2,1H3,(H,23,26).
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide is sourced from PubChem (CID 118861342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).