N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide

C9H16ClNO — CID 166978311

IUPACN-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC(C)C[C@@H]1Cl
InChIInChI=1S/C9H16ClNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h6,8-9H,3-5H2,1-2H3,(H,11,12)/t6?,8-,9+/m0/s1
InChIKeyUPVUTBLWLXAGAJ-TWSLBNPLSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds1

About N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide

N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide (PubChem CID 166978311) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide
PubChem CID166978311
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC(C)C[C@@H]1Cl
InChIInChI=1S/C9H16ClNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h6,8-9H,3-5H2,1-2H3,(H,11,12)/t6?,8-,9+/m0/s1
InChIKeyUPVUTBLWLXAGAJ-TWSLBNPLSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
methyl (1S,2S,4R)-2-chloro-4-methylcyclohexane-1-carboxylate
CID 130961772
N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
CID 129426674
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
CID 71513961
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
N-[(1R,2S)-2-piperidin-4-ylcyclopropyl]acetamide
CID 131008531
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide (CID 166978311) is N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide is CC(=O)N[C@@H]1CCC(C)C[C@@H]1Cl.
What is the InChIKey of N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide?
The InChIKey is UPVUTBLWLXAGAJ-TWSLBNPLSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h6,8-9H,3-5H2,1-2H3,(H,11,12)/t6?,8-,9+/m0/s1.
What are the key properties of N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide?
N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide is sourced from PubChem (CID 166978311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).