N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide

C12H20ClNO2 — CID 104701757

IUPACN-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide
SMILESCC(=O)NCC1(C(=O)CCl)CCCCCC1
InChIInChI=1S/C12H20ClNO2/c1-10(15)14-9-12(11(16)8-13)6-4-2-3-5-7-12/h2-9H2,1H3,(H,14,15)
InChIKeyHDMIGWUWGWHLCY-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.27
Rot. Bonds4

About N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide

N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide (PubChem CID 104701757) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide
PubChem CID104701757
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide
SMILESCC(=O)NCC1(C(=O)CCl)CCCCCC1
InChIInChI=1S/C12H20ClNO2/c1-10(15)14-9-12(11(16)8-13)6-4-2-3-5-7-12/h2-9H2,1H3,(H,14,15)
InChIKeyHDMIGWUWGWHLCY-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
N-[1-(2-chloroacetyl)cyclobutyl]acetamide
CID 104701673
2-chloro-1-(1-ethylcyclopropyl)ethanone
CID 130553979
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451265

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide?
The IUPAC name of N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide (CID 104701757) is N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide is CC(=O)NCC1(C(=O)CCl)CCCCCC1.
What is the InChIKey of N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide?
The InChIKey is HDMIGWUWGWHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-10(15)14-9-12(11(16)8-13)6-4-2-3-5-7-12/h2-9H2,1H3,(H,14,15).
What are the key properties of N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide?
N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide has a molecular weight of 245.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroacetyl)cycloheptyl]methyl]acetamide is sourced from PubChem (CID 104701757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).