3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

C14H17ClFNO2 — CID 122569574

IUPAC3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c15-11-6-10(7-12(16)8-11)13(19)17-14(9-18)4-2-1-3-5-14/h6-8,18H,1-5,9H2,(H,17,19)
InChIKeyRLSFMSYQJLDQCS-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.90
Rot. Bonds3

About 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide

3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 122569574) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID122569574
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1(CO)CCCCC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H17ClFNO2/c15-11-6-10(7-12(16)8-11)13(19)17-14(9-18)4-2-1-3-5-14/h6-8,18H,1-5,9H2,(H,17,19)
InChIKeyRLSFMSYQJLDQCS-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide (CID 122569574) is 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1(CO)CCCCC1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is RLSFMSYQJLDQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-11-6-10(7-12(16)8-11)13(19)17-14(9-18)4-2-1-3-5-14/h6-8,18H,1-5,9H2,(H,17,19).
What are the key properties of 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide?
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 285.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 122569574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).