5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide

C14H17ClFNO — CID 60674706

IUPAC5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
SMILESO=C(NCC1CCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyPZOOFKHJRMBRSD-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide

5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide (PubChem CID 60674706) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
PubChem CID60674706
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
SMILESO=C(NCC1CCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyPZOOFKHJRMBRSD-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
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5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
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2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
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5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzamide
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5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
5-chloro-N-cycloheptyl-2-fluorobenzamide
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4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide (CID 60674706) is 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide is O=C(NCC1CCCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide?
The InChIKey is PZOOFKHJRMBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18).
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide?
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide has a molecular weight of 269.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide is sourced from PubChem (CID 60674706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).