2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide

C16H21ClFNO — CID 167056111

IUPAC2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
SMILESCC(C)(F)c1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21ClFNO/c1-16(2,18)11-8-9-14(17)13(10-11)15(20)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)
InChIKeyKJDWUTNSRXSUDN-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.61
Rot. Bonds3

About 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide

2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide (PubChem CID 167056111) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
PubChem CID167056111
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
SMILESCC(C)(F)c1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21ClFNO/c1-16(2,18)11-8-9-14(17)13(10-11)15(20)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)
InChIKeyKJDWUTNSRXSUDN-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 154183333
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CID 23880547
5-bromo-2-chloro-N-cyclopentylbenzamide
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4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
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CID 17456227
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide
CID 53278340
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
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CID 46387464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide (CID 167056111) is 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide is CC(C)(F)c1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide?
The InChIKey is KJDWUTNSRXSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-16(2,18)11-8-9-14(17)13(10-11)15(20)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide?
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide has a molecular weight of 297.80 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide is sourced from PubChem (CID 167056111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).