N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide

C15H18ClNO — CID 11065293

IUPACN-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
SMILESO=C(CCl)N(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C15H18ClNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1,3-5,7-9,14H,2,6,10-12H2
InChIKeyVJLDZTRGPIYYBA-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.36
Rot. Bonds4

About N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide

N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide (PubChem CID 11065293) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
PubChem CID11065293
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
SMILESO=C(CCl)N(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C15H18ClNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1,3-5,7-9,14H,2,6,10-12H2
InChIKeyVJLDZTRGPIYYBA-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
CID 10870546
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CID 118558614
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
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N-benzyl-2-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 93478726
N-butyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
CID 122208117
(1R)-N,N-dibenzylcyclohept-2-en-1-amine
CID 139091236
N-(1-acetylazepan-4-yl)-N-benzyl-2-chloroacetamide
CID 138506242
(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide
CID 101484905
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide?
The IUPAC name of N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide (CID 11065293) is N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide?
The canonical SMILES for N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide is O=C(CCl)N(Cc1ccccc1)C1C=CCCC1.
What is the InChIKey of N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide?
The InChIKey is VJLDZTRGPIYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1,3-5,7-9,14H,2,6,10-12H2.
What are the key properties of N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide?
N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide has a molecular weight of 263.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide is sourced from PubChem (CID 11065293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).