2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide

C10H19ClN2O — CID 66565735

IUPAC2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
SMILESCN(C)C1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C10H19ClN2O/c1-13(2)9-5-3-8(4-6-9)12-10(14)7-11/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyWHAIWCKWYINKRO-UHFFFAOYSA-N
MW218.73 g/mol
LogP1.21
Rot. Bonds3

About 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide

2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide (PubChem CID 66565735) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
PubChem CID66565735
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide
SMILESCN(C)C1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C10H19ClN2O/c1-13(2)9-5-3-8(4-6-9)12-10(14)7-11/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyWHAIWCKWYINKRO-UHFFFAOYSA-N
XLogP1.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.21
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

2-chloro-N-(thian-4-yl)acetamide
CID 115879873
[4-(dimethylamino)cyclohexyl]urea
CID 59286114
2-chloro-N-cyclododecylacetamide
CID 4285747
3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide
CID 146075742
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
CID 146109282
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
2-chloro-N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]acetamide
CID 178190561
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[(1R,3R)-3-(dimethylamino)cyclopentyl]acetamide
CID 131085914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide (CID 66565735) is 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide is CN(C)C1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide?
The InChIKey is WHAIWCKWYINKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-13(2)9-5-3-8(4-6-9)12-10(14)7-11/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide?
2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide has a molecular weight of 218.73 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)cyclohexyl]acetamide is sourced from PubChem (CID 66565735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).