2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide

C11H19ClN2O2 — CID 64742950

IUPAC2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCC(NC(=O)NC(=O)CCl)CC1C
InChIInChI=1S/C11H19ClN2O2/c1-7-3-4-9(5-8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyDFVGQBDXFZRWFM-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.88
Rot. Bonds2

About 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide

2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide (PubChem CID 64742950) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
PubChem CID64742950
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCC(NC(=O)NC(=O)CCl)CC1C
InChIInChI=1S/C11H19ClN2O2/c1-7-3-4-9(5-8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyDFVGQBDXFZRWFM-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide
CID 130892509
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274
5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
2-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 7042972
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
CID 64743741
N-(3,4-dimethylcyclohexyl)-3-methyl-2-sulfanylbutanamide
CID 107031004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide (CID 64742950) is 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide is CC1CCC(NC(=O)NC(=O)CCl)CC1C.
What is the InChIKey of 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide?
The InChIKey is DFVGQBDXFZRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-7-3-4-9(5-8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide?
2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide has a molecular weight of 246.74 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 64742950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).