N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide

C17H16ClFN2O — CID 140562117

IUPACN-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide
SMILESCCC(=O)NCC(F)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C17H16ClFN2O/c1-2-17(22)20-9-14(19)10-3-5-12-13-8-11(18)4-6-15(13)21-16(12)7-10/h3-8,14,21H,2,9H2,1H3,(H,20,22)
InChIKeyYPISXOZEEQWLBA-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.51
Rot. Bonds4

About N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide

N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide (PubChem CID 140562117) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide
PubChem CID140562117
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC NameN-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide
SMILESCCC(=O)NCC(F)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C17H16ClFN2O/c1-2-17(22)20-9-14(19)10-3-5-12-13-8-11(18)4-6-15(13)21-16(12)7-10/h3-8,14,21H,2,9H2,1H3,(H,20,22)
InChIKeyYPISXOZEEQWLBA-UHFFFAOYSA-N
XLogP4.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide?
The IUPAC name of N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide (CID 140562117) is N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide.
What is the SMILES notation for N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide?
The canonical SMILES for N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide is CCC(=O)NCC(F)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide?
The InChIKey is YPISXOZEEQWLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c1-2-17(22)20-9-14(19)10-3-5-12-13-8-11(18)4-6-15(13)21-16(12)7-10/h3-8,14,21H,2,9H2,1H3,(H,20,22).
What are the key properties of N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide?
N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide has a molecular weight of 318.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide is sourced from PubChem (CID 140562117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).