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

C18H24Cl2N2O2 — CID 134839670

IUPAC2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide
SMILESO=C(CCl)NC12CC3C4CC5(NC(=O)CCl)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C18H24Cl2N2O2/c19-7-15(23)21-17-1-9-10-4-18(22-16(24)8-20)5-11(9)13(3-17)14(6-18)12(10)2-17/h9-14H,1-8H2,(H,21,23)(H,22,24)
InChIKeyZRKRYCZTJHNSDL-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.28
Rot. Bonds4

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

2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide (PubChem CID 134839670) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide
PubChem CID134839670
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide
SMILESO=C(CCl)NC12CC3C4CC5(NC(=O)CCl)CC3C(C1)C(C5)C4C2
InChIInChI=1S/C18H24Cl2N2O2/c19-7-15(23)21-17-1-9-10-4-18(22-16(24)8-20)5-11(9)13(3-17)14(6-18)12(10)2-17/h9-14H,1-8H2,(H,21,23)(H,22,24)
InChIKeyZRKRYCZTJHNSDL-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
The IUPAC name of 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide (CID 134839670) is 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide.
What is the SMILES notation for 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
The canonical SMILES for 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide is O=C(CCl)NC12CC3C4CC5(NC(=O)CCl)CC3C(C1)C(C5)C4C2.
What is the InChIKey of 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
The InChIKey is ZRKRYCZTJHNSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c19-7-15(23)21-17-1-9-10-4-18(22-16(24)8-20)5-11(9)13(3-17)14(6-18)12(10)2-17/h9-14H,1-8H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide?
2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide has a molecular weight of 371.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[9-[(2-chloroacetyl)amino]-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetamide is sourced from PubChem (CID 134839670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).