2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide

C17H24ClNO — CID 89120945

IUPAC2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
SMILESCC12CC3C4CC5(NC(=O)CCl)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C17H24ClNO/c1-16-2-9-12-5-17(19-15(20)8-18)6-13(9)11(4-16)14(7-17)10(12)3-16/h9-14H,2-8H2,1H3,(H,19,20)
InChIKeyGYVCKEYOVLVLMQ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.19
Rot. Bonds2

About 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide

2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide (PubChem CID 89120945) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
PubChem CID89120945
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
SMILESCC12CC3C4CC5(NC(=O)CCl)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C17H24ClNO/c1-16-2-9-12-5-17(19-15(20)8-18)6-13(9)11(4-16)14(7-17)10(12)3-16/h9-14H,2-8H2,1H3,(H,19,20)
InChIKeyGYVCKEYOVLVLMQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
The IUPAC name of 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide (CID 89120945) is 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide.
What is the SMILES notation for 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
The canonical SMILES for 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide is CC12CC3C4CC5(NC(=O)CCl)CC3C(C1)C(C5)C4C2.
What is the InChIKey of 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
The InChIKey is GYVCKEYOVLVLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-16-2-9-12-5-17(19-15(20)8-18)6-13(9)11(4-16)14(7-17)10(12)3-16/h9-14H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide has a molecular weight of 293.84 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide is sourced from PubChem (CID 89120945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).