2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide

C14H17ClFNO — CID 6470536

IUPAC2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO/c15-13-8-11(16)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyXTRQTPFMBWLGKS-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide

2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide (PubChem CID 6470536) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
PubChem CID6470536
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFNO/c15-13-8-11(16)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyXTRQTPFMBWLGKS-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide (CID 6470536) is 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide is O=C(NCC1CCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide?
The InChIKey is XTRQTPFMBWLGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-13-8-11(16)6-7-12(13)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 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide?
2-chloro-N-(cyclohexylmethyl)-4-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 2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 6470536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).