2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide

C15H16ClFN2O2 — CID 86266719

IUPAC2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
SMILESCn1cccc1C(O)CCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O2/c1-19-9-3-6-12(19)13(20)7-8-18-15(21)14-10(16)4-2-5-11(14)17/h2-6,9,13,20H,7-8H2,1H3,(H,18,21)
InChIKeyRSNCWZLAVIIRRU-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide

2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide (PubChem CID 86266719) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
PubChem CID86266719
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
SMILESCn1cccc1C(O)CCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O2/c1-19-9-3-6-12(19)13(20)7-8-18-15(21)14-10(16)4-2-5-11(14)17/h2-6,9,13,20H,7-8H2,1H3,(H,18,21)
InChIKeyRSNCWZLAVIIRRU-UHFFFAOYSA-N
XLogP2.67
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide (CID 86266719) is 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide is Cn1cccc1C(O)CCNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
The InChIKey is RSNCWZLAVIIRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-19-9-3-6-12(19)13(20)7-8-18-15(21)14-10(16)4-2-5-11(14)17/h2-6,9,13,20H,7-8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide has a molecular weight of 310.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide is sourced from PubChem (CID 86266719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).