2-chloro-N-(cyclohexylmethyl)-N-methylacetamide

C10H18ClNO — CID 50988963

IUPAC2-chloro-N-(cyclohexylmethyl)-N-methylacetamide
SMILESCN(CC1CCCCC1)C(=O)CCl
InChIInChI=1S/C10H18ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyKFSDXOJJSMRMKQ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide

2-chloro-N-(cyclohexylmethyl)-N-methylacetamide (PubChem CID 50988963) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-N-methylacetamide
PubChem CID50988963
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-(cyclohexylmethyl)-N-methylacetamide
SMILESCN(CC1CCCCC1)C(=O)CCl
InChIInChI=1S/C10H18ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyKFSDXOJJSMRMKQ-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 4048767
2-Chloro-1-(4-methylpiperidin-1-yl)ethan-1-one
CID 4116926
1-Propanone, 2-chloro-1-(4-methyl-1-piperidinyl)-
CID 5155622
3-Azabicyclo(3.2.2)nonane, 3-(chloroacetyl)-
CID 14331
2-Chloro-N-(Cyclohexylmethyl)Acetamide
CID 2389989
2-Chloro-1-[4-(2-cyclohexylethyl)piperazin-1-yl]ethanone
CID 172471039
Chloroacetamide, N,N-bis(2-ethylhexyl)-
CID 533170
2-Chloro-N-(2-propylpentyl)ethanimidic acid
CID 218533
2-chloro-N-(3-cyclohexylpropyl)acetamide
CID 302460
2-chloro-N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 67073957
Propanamide, N,N-bis(2-ethylhexyl)-2-chloro-
CID 533083
2-chloro-N-(cyclohexylmethyl)propanamide
CID 3830970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide (CID 50988963) is 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide is CN(CC1CCCCC1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide?
The InChIKey is KFSDXOJJSMRMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide?
2-chloro-N-(cyclohexylmethyl)-N-methylacetamide has a molecular weight of 203.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-N-methylacetamide is sourced from PubChem (CID 50988963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).