N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide

C16H19ClN2O — CID 115687176

IUPACN-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
SMILESN#Cc1ccc(Cl)c(NC(=O)CC2CCCCCC2)c1
InChIInChI=1S/C16H19ClN2O/c17-14-8-7-13(11-18)9-15(14)19-16(20)10-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,19,20)
InChIKeyNJCNVCHVVWEMCL-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.51
Rot. Bonds3

About N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide

N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide (PubChem CID 115687176) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
PubChem CID115687176
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
SMILESN#Cc1ccc(Cl)c(NC(=O)CC2CCCCCC2)c1
InChIInChI=1S/C16H19ClN2O/c17-14-8-7-13(11-18)9-15(14)19-16(20)10-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,19,20)
InChIKeyNJCNVCHVVWEMCL-UHFFFAOYSA-N
XLogP4.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7733768
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CID 103707266
N-(3-cyanophenyl)-2-cycloheptylacetamide
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N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
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N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
(2R,5S)-5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945464
5-[(2-chloro-5-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688731
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
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2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide (CID 115687176) is N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide is N#Cc1ccc(Cl)c(NC(=O)CC2CCCCCC2)c1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide?
The InChIKey is NJCNVCHVVWEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-8-7-13(11-18)9-15(14)19-16(20)10-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,19,20).
What are the key properties of N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide?
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide has a molecular weight of 290.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 115687176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).